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3-(5,5,6-trimethylbicyclo[2.2.1]hept-2-yl)cyclohexanol

fo-0fb6d40649f3e7f1

Identity

Type
Neutral molecule
CAS
3407-42-9
EC
222-294-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 3-(5,5,6-trimethylbicyclo[2.2.1]hept-2-yl)cyclohexanol

Alternative labels

7

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string BWVZAZPLUTUBKD-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C16H28O/c1-10-14-8-12(16(10,2)3)9-15(14)11-5-4-6-13(17)7-11/h10-15,17H,4-9H2,1-3H3
IUPAC name chemrof:IUPAC_name 3-(5,5,6-trimethylbicyclo[2.2.1]hept-2-yl)cyclohexanol
Molecular formula chemrof:molecular_formula C16H28O
Molecular mass chemrof:molecular_mass 236.399
Monoisotopic mass chemrof:monoisotopic_mass 236.214016, 236.21402
SMILES string chemrof:smiles_string CC1C2CC(CC2C2CCCC(O)C2)C1(C)C

Known URLs

13

Where 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=3407-42-9 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:171884 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.020.268 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.93057.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5044817 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3182308 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0031851 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J52.225B enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=45152 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/103005 enrich_references.pubchem_compound
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/2397710 enrich_references.pubchem_identifier_url
Wikidata https://www.wikidata.org/wiki/Q4407886 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Isobornyl_cyclohexanol enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
5667ba68-219b-4409-963e-890dc29763ca Environmental → Air → Aircraft cruise height EF 3.1 kg 2
0b9e637c-d016-4be3-9d4e-c9b156ec5e3c Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
88fae399-01f6-47e7-bb53-8a1418045ed6 Environmental → Air → Indoor EF 3.1 kg 2
6a9821c4-5ee9-40e6-bf20-4f9460957e8e Environmental → Air → Long-term EF 3.1 kg 0
2104d930-b4a4-4feb-8683-86f0a0c423bb Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
2e70f53d-d5f7-44ed-b52a-1ec1cf31c652 Environmental → Air → Unknown EF 3.1 kg 2
7db89dc8-e0f5-43f6-a93b-9a8162c55433 Environmental → Ground → Agricultural EF 3.1 kg 2
cdb3cda4-fd64-446e-a4a4-b62740658b32 Environmental → Ground → Non-agricultural EF 3.1 kg 2
7573b023-8a7b-4333-aba5-60106fe349cf Environmental → Ground → Unknown EF 3.1 kg 2
bf05dd52-73a4-41ec-938a-7a80d6b98ba5 Environmental → Water → Long-term EF 3.1 kg 0
9a07dc66-d92c-43da-93de-819c403d9227 Environmental → Water → Ocean EF 3.1 kg 2
359a9ed0-b8e5-40b3-9a3f-a2d5e339978d Environmental → Water → Surface water EF 3.1 kg 2
e0f4bb55-e9d8-487c-b95a-872095257b23 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
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      "reason": "",
      "types": [
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      ],
      "provenance": {
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    }
  },
  "classifications": {
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        "3407-42-9"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=3407-42-9"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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        ],
        "prov:wasDerivedFrom": "ec_numbers"
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
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  ]
}

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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

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