Summary

IMPPAT Phytochemical identifier: IMPHY016988

Phytochemical name: 4-Octanol

Synonymous chemical names:
octan-4-ol

External chemical identifiers:
CID:11515, FDASRS:5HZ7613II2, SureChEMBL:SCHEMBL78215

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Chemical structure information

SMILES:
CCCCC(CCC)O

InChI:
InChI=1S/C8H18O/c1-3-5-7-8(9)6-4-2/h8-9H,3-7H2,1-2H3

InChIKey:
WOFPPJOZXUTRAU-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCC)))O

Functional groups:
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: 1.449

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Chemical structure download