Summary

IMPPAT Phytochemical identifier: IMPHY012260

Phytochemical name: Hex-2-en-3-ol

Synonymous chemical names:
hex-2-en-3-ol

External chemical identifiers:
CID:85978

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Chemical structure information

SMILES:
CCCC(=CC)O

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

InChIKey:
SPWMFXSIAMGJPC-UHFFFAOYSA-N

DeepSMILES:
CCCC=CC))O

Functional groups:
CC=C(C)O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Enols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 0.952

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Chemical structure download