Summary

IMPPAT Phytochemical identifier: IMPHY016387

Phytochemical name: 3-Methyl-1-hexanol

Synonymous chemical names:
3-methylhexanol

External chemical identifiers:
CID:25793, SureChEMBL:SCHEMBL497428, MolPort-020-349-472

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Chemical structure information

SMILES:
CCCC(CCO)C

InChI:
InChI=1S/C7H16O/c1-3-4-7(2)5-6-8/h7-8H,3-6H2,1-2H3

InChIKey:
YGZVAQICDGBHMD-UHFFFAOYSA-N

DeepSMILES:
CCCCCCO)))C

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: 1.638

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Chemical structure download