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(+/-) Trans-3,3-dimethyl-5-(2,2,3-trimethyl-cyclopent-3-en-1-yl)pent-4-en-2-ol

fo-dc0e902c14e61f0b

Identity

Type
Neutral molecule
CAS
107898-54-4
EC
411-580-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for (+/-) Trans-3,3-dimethyl-5-(2,2,3-trimethyl-cyclopent-3-en-1-yl)pent-4-en-2-ol

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string QZFSNJAQFWEXEA-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C15H26O/c1-11-7-8-13(15(11,5)6)9-10-14(3,4)12(2)16/h7,9-10,12-13,16H,8H2,1-6H3
IUPAC name chemrof:IUPAC_name 3,3-Dimethyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-4-penten-2-ol
Molecular formula chemrof:molecular_formula C15H26O
Molecular mass chemrof:molecular_mass 222.372
Monoisotopic mass chemrof:monoisotopic_mass 222.198365
SMILES string chemrof:smiles_string CC1=CCC(C=CC(C)(C)C(C)O)C1(C)C

Known URLs

6

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=107898-54-4 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.101.101 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.122.363 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7051551 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/53425103 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q72501662 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
07dbf701-3446-4f9a-9591-cb33b41bd1bd Environmental → Air → Aircraft cruise height EF 3.1 kg 2
96489214-e71f-4962-bbd7-b7f8917d4971 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
2ccbd65d-3ff6-46b9-857c-8b3316161602 Environmental → Air → Indoor EF 3.1 kg 2
ff3220b9-19d5-4ff2-86ba-c21ed487dab0 Environmental → Air → Long-term EF 3.1 kg 0
706cc147-a42f-4814-b63a-5d57116c2014 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
cf25b199-43c1-4492-a7ae-1604cd04e55a Environmental → Air → Unknown EF 3.1 kg 2
52572ee8-9065-45a8-8784-cd000dbed647 Environmental → Ground → Agricultural EF 3.1 kg 2
a8c08b92-5213-400c-8186-a9d0330c4e18 Environmental → Ground → Non-agricultural EF 3.1 kg 2
1d4cfa4b-e966-40d3-bd2f-1cf3862cd637 Environmental → Ground → Unknown EF 3.1 kg 2
e729616f-57ff-412b-8c35-7b80bf7ba89a Environmental → Water → Long-term EF 3.1 kg 0
e42109e7-6b95-4842-8782-8bb0e40f0ff9 Environmental → Water → Ocean EF 3.1 kg 2
deeeb0f6-2553-48d3-a0e2-4f0103c40895 Environmental → Water → Surface water EF 3.1 kg 2
ec18c344-982f-4c0a-b73f-80d7f5e2d637 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 
{
  "flow_object_id": "fo-dc0e902c14e61f0b",
  "prefLabel": [
    {
      "@value": "(+/-) Trans-3,3-dimethyl-5-(2,2,3-trimethyl-cyclopent-3-en-1-yl)pent-4-en-2-ol",
      "@language": "en",
      "@lang": "en",
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  ],
  "altLabel": [
    {
      "@value": "3,3-Dimethyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-4-penten-2-ol",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Penten-2-ol, 3,3-dimethyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-",
      "@language": "en",
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    },
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      "@value": "Mysantol",
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}

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