Summary

IMPPAT Phytochemical identifier: IMPHY011018

Phytochemical name: 3-Methyl-1-pentanol

Synonymous chemical names:
3-methyl-1-pentanol, 3-methylpentanol, pentan-1-ol,3-methyl

External chemical identifiers:
CID:11508, ChEBI:87381, FDASRS:N8W93SI0FS, SureChEMBL:SCHEMBL14990, MolPort-001-794-164

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Chemical structure information

SMILES:
OCCC(CC)C

InChI:
InChI=1S/C6H14O/c1-3-6(2)4-5-7/h6-7H,3-5H2,1-2H3

InChIKey:
IWTBVKIGCDZRPL-UHFFFAOYSA-N

DeepSMILES:
OCCCCC))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: 1.803

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Chemical structure download