Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000853

Phytochemical name: 1-Hexanol

Synonymous chemical names:
1- hexanol, 1-hexanol, hexan- 1-ol, hexanol, hexan-1-01, i-hexanol, hexanol*, hexan-1-ol, Hexanol, hexanol d, 1-Hexanol

External chemical identifiers:
CID:CID_8103, ChEMBL:CHEMBL14085, ChEBI:CHEBI:87393, ZINC:ZINC000001699882, FDASRS:6CP2QER8GS, SureChEMBL:SCHEMBL1877, MolPort-001-779-716

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Chemical structure information

SMILES:
CCCCCCO

InChI:
InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3

InChIKey:
ZSIAUFGUXNUGDI-UHFFFAOYSA-N

DeepSMILES:
CCCCCCO

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: 1.072

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Chemical structure download