Summary

IMPPAT Phytochemical identifier: IMPHY013754

Phytochemical name: 2-Methyl-1-pentanol

Synonymous chemical names:
2-methyl pentan-1-ol, pentan-1-ol, 2-methyl

External chemical identifiers:
CID:7745, ChEMBL:CHEMBL1569610, FDASRS:U8933MB30H, SureChEMBL:SCHEMBL22659, MolPort-001-793-729

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Chemical structure information

SMILES:
CCCC(CO)C

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

InChIKey:
PFNHSEQQEPMLNI-UHFFFAOYSA-N

DeepSMILES:
CCCCCO))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: 1.706

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Chemical structure download