Consensus flow list

(2e)-2-ethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-ol

fo-7ddde3c3cd8fd2a1

Identity

Type
NeutralMolecule
CAS
106185-75-5
EC
701-122-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for (2e)-2-ethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-ol

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string KHQDWCKZXLWDNM-KPKJPENVSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H24O/c1-5-12(10-15)7-9-13-8-6-11(2)14(13,3)4/h6-7,13,15H,5,8-10H2,1-4H3/b12-7+
Isomeric SMILES string chemrof:isomeric_smiles_string CC/C(=C\CC1CC=C(C)C1(C)C)CO
IUPAC name chemrof:IUPAC_name (2e)-2-ethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-ol
Molecular formula chemrof:molecular_formula C14H24O
Molecular mass chemrof:molecular_mass 208.345
Monoisotopic mass chemrof:monoisotopic_mass 208.182715
SMILES string chemrof:smiles_string CCC(=CCC1CC=C(C)C1(C)C)CO

Known URLs

8

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=106185-75-5 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.247.348 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID30860412 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3729014 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6IHW4TX869 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J647.437C enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6438196 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27894694 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
8a33ee82-e282-4f0b-9688-dbaaf72476d7 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
5147ec7b-e424-44bc-8469-72f7374d61f3 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
3f3cbc49-91f3-444a-98f3-7b189f85ce36 Environmental → Air → Indoor EF 3.1 kg 4
903408b2-d8f5-4af0-bfb2-e62d432a5b41 Environmental → Air → Long-term EF 3.1 kg 0
000df040-9874-42ad-8af7-b8f4155a5a74 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
5e5498f8-ce68-4f40-84b1-01e2961fefaf Environmental → Air → Unknown EF 3.1 kg 4
7cdc614d-4457-410b-90c1-c3b4abc3be0a Environmental → Ground → Agricultural EF 3.1 kg 4
ebdf7bb4-af2b-4c7b-80b9-a4aa36204bce Environmental → Ground → Non-agricultural EF 3.1 kg 4
1e379c8c-5c5b-4988-9fc8-764fe83f5447 Environmental → Ground → Unknown EF 3.1 kg 4
2068e52e-881f-4c3d-b2bd-9cac4febde68 Environmental → Water → Long-term EF 3.1 kg 0
978c7970-3580-46d0-b829-35e4a036bf0a Environmental → Water → Ocean EF 3.1 kg 4
47d5ceac-ac3f-4bb2-b376-80757e14d611 Environmental → Water → Surface water EF 3.1 kg 4
1d3907ca-37ea-4614-8bf4-75f61b1b5288 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
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  ],
  "altLabel": [
    {
      "@value": "(2E)-2-Ethyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-2-buten-1-ol",
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    },
    {
      "@value": "(E)-2-Ethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-ol",
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    },
    {
      "@value": "2-Buten-1-ol, 2-ethyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-, (2E)-",
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