O,o',o''-(methylsilylidyne)trioxime 2-pentanone
fo-7857e277026741e4
Identity
- Type
- Neutral molecule
- CAS
- 37859-55-5
- EC
- 484-460-1
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
5- 2-Pentanone, 2,2′,2′′-[O,O′,O′′-(methylsilylidyne)trioxime]
- 2-Pentanone, O,O′,O′′-(methylsilylidyne)trioxime
- Methyl tris(n-propylmethylketoxime) silane
- Methyltris(2-pentanonoximo)silane
- Methyltris(methylpropylketoxime)silane
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | ZCJXKKWHDIBGPE-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C16H33N3O3Si/c1-8-11-14(4)17-20-23(7,21-18-15(5)12-9-2)22-19-16(6)13-10-3/h8-13H2,1-7H3 |
| IUPAC name chemrof:IUPAC_name | N-[methyl-bis[(1-methylbutylideneamino)oxy]silyl]oxypentan-2-imine, N-[methyl-bis[(pentan-2-ylideneamino)oxy]silyl]oxy-2-pentanimine, N-[methyl-bis[(pentan-2-ylideneamino)oxy]silyl]oxypentan-2-imine, [methyl-bis[(1-methylbutylideneamino)oxy]silyl]oxy-(1-methylbutylidene)amine |
| Molecular formula chemrof:molecular_formula | C16H33N3O3Si |
| Molecular mass chemrof:molecular_mass | 343.544 |
| Monoisotopic mass chemrof:monoisotopic_mass | 343.229118 |
| SMILES string chemrof:smiles_string | CCCC(=NO[Si](C)(ON=C(C)CCC)ON=C(C)CCC)C |
Known URLs
4Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=37859-55-5 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.105.459 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID701015697 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/87196285 | enrich_references.pubchem_compound |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 5ded8a29-600e-43b9-8505-c75e6869e2c7 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 5cba9fe1-de03-47bc-bd48-9c3bad0f1591 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 85d2a295-a411-463b-bcad-15544a18ad7b | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 3b9452e2-3805-4bdb-a989-d288ad199c2c | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 86b299ba-4305-404c-8a79-388b9526b546 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 91708f0d-bea8-41d1-9ce4-7eaf430c1a79 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 2ae63444-17d4-4466-b772-7f57b626ba7e | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 4f5f28a2-86fe-41ee-8a7f-c42ace592f84 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 2dbf0ea6-4f08-4e5d-86f4-f4f3ab93c512 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 91dc82b1-c422-4631-b741-c26edd477567 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| b237b883-3477-4e13-9fb9-4faff2cf88a9 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 31e0f9ff-c0ca-4e2f-84ef-94d352dae6a4 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 4eb50171-51be-4d77-8734-9dc1b7623a5d | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (54 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-7857e277026741e4",
"prefLabel": [
{
"@value": "O,o',o''-(methylsilylidyne)trioxime 2-pentanone",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"altLabel": [
{
"@value": "2-Pentanone, 2,2′,2′′-[O,O′,O′′-(methylsilylidyne)trioxime]",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:37859-55-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=37859-55-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Pentanone, O,O′,O′′-(methylsilylidyne)trioxime",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:37859-55-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=37859-55-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Methyl tris(n-propylmethylketoxime) silane",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:37859-55-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=37859-55-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Methyltris(2-pentanonoximo)silane",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:37859-55-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=37859-55-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Methyltris(methylpropylketoxime)silane",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:37859-55-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=37859-55-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C16H33N3O3Si"
],
"attested_by": {
"C16H33N3O3Si": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:87196285"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCC(=NO[Si](C)(ON=C(C)CCC)ON=C(C)CCC)C"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"ZCJXKKWHDIBGPE-UHFFFAOYSA-N"
],
"attested_by": {
"ZCJXKKWHDIBGPE-UHFFFAOYSA-N": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:87196285"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCC(=NO[Si](C)(ON=C(C)CCC)ON=C(C)CCC)C"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"@value": [
"CCCC(=NO[Si](C)(ON=C(C)CCC)ON=C(C)CCC)C"
],
"attested_by": {
"CCCC(=NO[Si](C)(ON=C(C)CCC)ON=C(C)CCC)C": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "SMILES",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:87196285"
],
"prov:wasDerivedFrom": "pubchem.props.SMILES"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCC(=NO[Si](C)(ON=C(C)CCC)ON=C(C)CCC)C"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"@value": [
"InChI=1S/C16H33N3O3Si/c1-8-11-14(4)17-20-23(7,21-18-15(5)12-9-2)22-19-16(6)13-10-3/h8-13H2,1-7H3"
],
"attested_by": {
"InChI=1S/C16H33N3O3Si/c1-8-11-14(4)17-20-23(7,21-18-15(5)12-9-2)22-19-16(6)13-10-3/h8-13H2,1-7H3": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "InChI",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:87196285"
],
"prov:wasDerivedFrom": "pubchem.props.InChI"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCC(=NO[Si](C)(ON=C(C)CCC)ON=C(C)CCC)C"
]
}
]
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"@value": [
"N-[methyl-bis[(1-methylbutylideneamino)oxy]silyl]oxypentan-2-imine",
"N-[methyl-bis[(pentan-2-ylideneamino)oxy]silyl]oxy-2-pentanimine",
"N-[methyl-bis[(pentan-2-ylideneamino)oxy]silyl]oxypentan-2-imine",
"[methyl-bis[(1-methylbutylideneamino)oxy]silyl]oxy-(1-methylbutylidene)amine"
],
"attested_by": {
"N-[methyl-bis[(1-methylbutylideneamino)oxy]silyl]oxypentan-2-imine": [
"enrich_references.pubchem_semantic"
],
"N-[methyl-bis[(pentan-2-ylideneamino)oxy]silyl]oxy-2-pentanimine": [
"enrich_references.pubchem_semantic"
],
"N-[methyl-bis[(pentan-2-ylideneamino)oxy]silyl]oxypentan-2-imine": [
"enrich_references.pubchem_semantic"
],
"[methyl-bis[(1-methylbutylideneamino)oxy]silyl]oxy-(1-methylbutylidene)amine": [
"enrich_references.pubchem_semantic"
]
},
"rdfs:label": "IUPAC name",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:87196285"
],
"prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
343.544
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCC(=NO[Si](C)(ON=C(C)CCC)ON=C(C)CCC)C"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCC(=NO[Si](C)(ON=C(C)CCC)ON=C(C)CCC)C"
]
}
],
"attested_by": {
"343.544": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
},
"https://w3id.org/chemrof/monoisotopic_mass": {
"@id": "https://w3id.org/chemrof/monoisotopic_mass",
"rdfs:label": "Monoisotopic mass",
"@value": [
343.229118
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCC(=NO[Si](C)(ON=C(C)CCC)ON=C(C)CCC)C"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCC(=NO[Si](C)(ON=C(C)CCC)ON=C(C)CCC)C"
]
}
],
"attested_by": {
"343.229118": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
}
},
"references": [
{
"@id": "https://chem.echa.europa.eu/100.105.459",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:87196285;CAS:37859-55-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[37859-55-5]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=37859-55-5",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:87196285;CAS:37859-55-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[37859-55-5]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID701015697",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:87196285;CAS:37859-55-5"
],
"prov:wasDerivedFrom": "pubchem.identifiers[37859-55-5]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/87196285",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:87196285;CAS:37859-55-5"
],
"prov:wasDerivedFrom": "pubchem.by_cas[37859-55-5]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "2ae63444-17d4-4466-b772-7f57b626ba7e",
"seed_source": "EF 3.1",
"semantic_typing": {
"rule": "neutral_molecule",
"reason": "",
"types": [
"https://w3id.org/chemrof/NeutralMolecule"
],
"provenance": {
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"37859-55-5"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=37859-55-5"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=37859-55-5"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"484-460-1"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=484-460-1"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
]
}
Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works