Summary

IMPPAT Phytochemical identifier: IMPHY001828

Phytochemical name: 3-Octanol

Synonymous chemical names:
3- octanol, 3-octan-1-ol, 3-octane, 3-octanoi, 3-octanol, 3-octanol ., 3-octen-1-ol, 3-octenol, 3octanol, octan-3- ol, octan-3-01, octan-3-ol, octen-3-01

External chemical identifiers:
CID:11527, ChEMBL:CHEMBL487998, ChEBI:80945, FDASRS:73DZ0U3U1E, SureChEMBL:SCHEMBL112339, MolPort-001-759-253

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Chemical structure information

SMILES:
CCCCCC(CC)O

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

InChIKey:
NMRPBPVERJPACX-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCC))O

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: 1.429

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Chemical structure download