Summary

IMPPAT Phytochemical identifier: IMPHY011694

Phytochemical name: 2-Hexen-1-OL

Synonymous chemical names:
(e)-2-hexen-1-o1, (e)-2-hexen-1-ol, (e)-2-hexenol, (e)-hex-2-en-1-ol, 2-hexen-1-ol, 2-hexen-1-ol (e), 2-hexenol, trans-2 hexenol, trans-2-hexen-1-ol, trans-2-hexene-1-ol, trans-2-hexenol, trans-hex-2-en-1-01, trans-hex-2en- 1-01

External chemical identifiers:
CID:5318042, ChEMBL:CHEMBL2228463, ChEBI:141205, ZINC:ZINC000001726893, FDASRS:BVP79C4821, SureChEMBL:SCHEMBL75388, MolPort-001-793-740

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Chemical structure information

SMILES:
CCC/C=C/CO

InChI:
InChI=1S/C6H12O/c1-2-3-4-5-6-7/h4-5,7H,2-3,6H2,1H3/b5-4+

InChIKey:
ZCHHRLHTBGRGOT-SNAWJCMRSA-N

DeepSMILES:
CCC/C=C/CO

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

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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: 2.424

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Chemical structure download