Summary

IMPPAT Phytochemical identifier: IMPHY006406

Phytochemical name: 2-Octen-4-ol

Synonymous chemical names:
2-octen-4-ol

External chemical identifiers:
CID:5366203, FDASRS:9IDJ8Q7S9T, SureChEMBL:SCHEMBL1245104

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Chemical structure information

SMILES:
CCCCC(/C=C/C)O

InChI:
InChI=1S/C8H16O/c1-3-5-7-8(9)6-4-2/h4,6,8-9H,3,5,7H2,1-2H3/b6-4+

InChIKey:
WGDUEFYADBRNKG-GQCTYLIASA-N

DeepSMILES:
CCCCC/C=C/C)))O

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

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Alcohols and polyols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 1.859

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Chemical structure download