Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID002955

Phytochemical name: 2-Pentanol

Synonymous chemical names:
pentan-2-ol, 2-pentanol, 2-Pentanol

External chemical identifiers:
CID:CID_22386, ChEMBL:CHEMBL45065, ChEBI:CHEBI:77518, FDASRS:04G7050365, SureChEMBL:SCHEMBL14956, MolPort-001-793-108

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Chemical structure information

SMILES:
CCCC(O)C

InChI:
InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3

InChIKey:
JYVLIDXNZAXMDK-UHFFFAOYSA-N

DeepSMILES:
CCCCO)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: 1.066

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Chemical structure download