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2-(2-(4-methyl-3-cyclohexen-1-yl)propyl)cyclopentanone

fo-a3d7b89f4b644b55

Identity

Type
Neutral molecule
CAS
95962-14-4
EC
404-240-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 2-(2-(4-methyl-3-cyclohexen-1-yl)propyl)cyclopentanone

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string KNHGOYVXAHUDHP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C15H24O/c1-11-6-8-13(9-7-11)12(2)10-14-4-3-5-15(14)16/h6,12-14H,3-5,7-10H2,1-2H3
IUPAC name chemrof:IUPAC_name 2-(2-(4-methyl-3-cyclohexen-1-yl)propyl)cyclopentanone
Molecular formula chemrof:molecular_formula C15H24O
Molecular mass chemrof:molecular_mass 220.356
Monoisotopic mass chemrof:monoisotopic_mass 220.182715
SMILES string chemrof:smiles_string CC1=CCC(C(C)CC2CCCC2=O)CC1

Known URLs

10

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=95962-14-4 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.100.590 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.117.491 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3052646 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3728992 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/P1K3Z8A8HJ enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J453.605C enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/175661 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q62736035 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/2-(2-(4-Methyl-3-cyclohexen-1-yl)propyl)cyclopentanone enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
8d4820d1-3c1b-41c3-83e7-d83cdf64c545 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
982491f0-8124-4edf-bc85-d011c59f3435 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
b4d8e36d-0b16-4b58-89f4-0b30cc3e15b9 Environmental → Air → Indoor EF 3.1 kg 2
278f8a20-c2b1-4bb0-a8c3-c747bba4f264 Environmental → Air → Long-term EF 3.1 kg 0
97c5542a-9512-4a1b-8ec5-f64f39c39120 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
ba873d3f-1a2e-4bad-9fd8-8c4befedbab8 Environmental → Air → Unknown EF 3.1 kg 2
67ffc428-b855-47fa-ac42-1b1ecc5f501e Environmental → Ground → Agricultural EF 3.1 kg 2
4975b4b1-a4e8-4447-a4c2-3f1b488e722e Environmental → Ground → Non-agricultural EF 3.1 kg 2
ffd5f02d-4ba5-45b1-bc29-94a82aa86427 Environmental → Ground → Unknown EF 3.1 kg 2
78e7b623-d9b3-4377-9707-74002c193ba8 Environmental → Water → Long-term EF 3.1 kg 0
452978ac-174a-45d4-b532-742f133be89a Environmental → Water → Ocean EF 3.1 kg 2
46bdde9f-cdc3-453d-b5a8-868fe661c5da Environmental → Water → Surface water EF 3.1 kg 2
8be05679-2164-4463-b48b-3eff5309d7ea Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-a3d7b89f4b644b55",
  "prefLabel": [
    {
      "@value": "2-(2-(4-methyl-3-cyclohexen-1-yl)propyl)cyclopentanone",
      "@language": "en",
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      }
    }
  ],
  "altLabel": [
    {
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      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-[2-(4-Methylcyclohex-3-en-1-yl)propyl]cyclopentan-1-one",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "2-[2-(4-Methylcyclohex-3-enyl)propyl]cyclopentanone",
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    },
    {
      "@value": "Cyclopentanone, 2-[2-(4-methyl-3-cyclohexen-1-yl)propyl]-",
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}

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