Summary

IMPPAT Phytochemical identifier: IMPHY009860

Phytochemical name: (E)-oct-1-en-1-ol

Synonymous chemical names:
octenol

External chemical identifiers:
CID:6443047, SureChEMBL:SCHEMBL29312

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Chemical structure information

SMILES:
CCCCCC/C=C/O

InChI:
InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h7-9H,2-6H2,1H3/b8-7+

InChIKey:
MDVPRIBCAFEROC-BQYQJAHWSA-N

DeepSMILES:
CCCCCC/C=C/O

Functional groups:
C/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: 1.714

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Chemical structure download