Summary

IMPPAT Phytochemical identifier: IMPHY016425

Phytochemical name: 4-Methyl-1-hexanol

Synonymous chemical names:
4-methyl hexanol, 4-methyl-1-hexanol

External chemical identifiers:
CID:98346, SureChEMBL:SCHEMBL261867

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Chemical structure information

SMILES:
OCCCC(CC)C

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

InChIKey:
YNPVNLWKVZZBTM-UHFFFAOYSA-N

DeepSMILES:
OCCCCCC))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: 1.736

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Chemical structure download