Summary

IMPPAT Phytochemical identifier: IMPHY005626

Phytochemical name: 2-Butyl-1-octanol

Synonymous chemical names:
1-octanol, 2-butyl-, 2-butyl-1-octanol, 2-butyl-octanol

External chemical identifiers:
CID:19800, ChEMBL:CHEMBL3183262, ChEBI:84235, FDASRS:N442D9VO79, SureChEMBL:SCHEMBL15370, MolPort-003-933-842

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Chemical structure information

SMILES:
CCCCCCC(CCCC)CO

InChI:
InChI=1S/C12H26O/c1-3-5-7-8-10-12(11-13)9-6-4-2/h12-13H,3-11H2,1-2H3

InChIKey:
XMVBHZBLHNOQON-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCC))))CO

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: 1.283

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Chemical structure download