Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000125

Phytochemical name: 1-Octanol

Synonymous chemical names:
octan-1-ol, 1-octanol*, n-octanol, octan- 1-01, 1-Octanol, octan-l-ol, 1-octanol, Octanol, octanol

External chemical identifiers:
CID:CID_957, ChEMBL:CHEMBL26215, ChEBI:CHEBI:16188, ZINC:ZINC000001532735, FDASRS:NV1779205D, SureChEMBL:SCHEMBL8822, MolPort-001-787-163

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Chemical structure information

SMILES:
CCCCCCCCO

InChI:
InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3

InChIKey:
KBPLFHHGFOOTCA-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCO

Functional groups:
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: 0.834

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Chemical structure download