Summary

IMPPAT Phytochemical identifier: IMPHY017159

Phytochemical name: 3-Methyl-2-hexanol

Synonymous chemical names:
2-hexanol,3-methyl-

External chemical identifiers:
CID:16835, SureChEMBL:SCHEMBL425153, MolPort-003-910-732

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Chemical structure information

SMILES:
CCCC(C(O)C)C

InChI:
InChI=1S/C7H16O/c1-4-5-6(2)7(3)8/h6-8H,4-5H2,1-3H3

InChIKey:
IRLSKJITMWPWNY-UHFFFAOYSA-N

DeepSMILES:
CCCCCO)C))C

Functional groups:
CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Alcohols and polyols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 1.373

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Chemical structure download