Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID001187

Phytochemical name: trans-2-Octen-1-Ol

Synonymous chemical names:
(e)-oct-2-en-1-ol, 2-octen-1-ol, 2-octenol*, (e)-2-octen-1-ol, trans-2-Octen-1-Ol, 2-octenal (e)

External chemical identifiers:
CID:CID_5318599, ChEMBL:CHEMBL2228465, ChEBI:CHEBI:142616, ZINC:ZINC000002017330, FDASRS:K54ST7V77U, SureChEMBL:SCHEMBL294232, MolPort-003-896-115

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Chemical structure information

SMILES:
CCCCC/C=C/CO

InChI:
InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h6-7,9H,2-5,8H2,1H3/b7-6+

InChIKey:
AYQPVPFZWIQERS-VOTSOKGWSA-N

DeepSMILES:
CCCCC/C=C/CO

Functional groups:
CO, C/C=C/C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 2.325

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Chemical structure download