2,2,4,4,6,8,8-heptamethylnonane
fo-0cf97cba30e8d09f
Identity
- Type
- Neutral molecule
- CAS
- 4390-04-9
- EC
- 224-506-8
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
4- (±)-2,2,4,4,6,8,8-Heptamethylnonane
- heptamethylnonane
- isocetane
- Nonane, 2,2,4,4,6,8,8-heptamethyl-
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | VCLJODPNBNEBKW-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C16H34/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h13H,10-12H2,1-9H3 |
| IUPAC name chemrof:IUPAC_name | 2,2,4,4,6,8,8-heptamethylnonane |
| Molecular formula chemrof:molecular_formula | C16H34 |
| Molecular mass chemrof:molecular_mass | 226.448 |
| Monoisotopic mass chemrof:monoisotopic_mass | 226.26605, 226.266051 |
| SMILES string chemrof:smiles_string | CC(CC(C)(C)C)CC(C)(C)CC(C)(C)C |
Known URLs
13Where 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=4390-04-9 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:131383 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.022.280 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID7052101 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=77129 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3561882 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8LP0677305 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J125.176G | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/20414 | enrich_references.pubchem_compound |
| reaxys | reaxys:1840009 | enrich_references.chebi_xrefs |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/1362933 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q754394 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Isocetane | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| eefab02b-792b-40fc-ab16-35684af9f317 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 5df211e3-8904-4483-aa98-03eb453b1355 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| d5795dd2-d764-4cae-8f94-502789a91408 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| a992487b-4c81-4612-ac58-d85635135703 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| db029444-36ac-42e2-88d9-4176afada7db | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 50ef88b4-7329-4d4a-852c-3f0172be25fa | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 060e526b-db0d-46f4-a6c1-997787e1bbc5 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 095b59b1-f2f3-4b73-ba38-201d2be7b3d4 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 2ea5c532-cbe8-4afe-9708-7c5d08215f4f | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 85153558-8efc-4a68-81cf-26016a800ddc | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 94fb508c-c18c-49f6-8cb5-d2c9b91c507e | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| cd37b579-0039-48b1-b5ce-14b3f3134587 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| f5eff401-ab6a-489f-bdc7-fb3b7476daf1 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_131383"
],
"prov:wasDerivedFrom": "chebi.definition"
}
}
],
"@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