Summary

IMPPAT Phytochemical identifier: IMPHY000091

Phytochemical name: 2-Methyl-3-pentanone

Synonymous chemical names:
2-methyl-3-pentanone

External chemical identifiers:
CID:11265, ChEBI:89215, ZINC:ZINC000002034716, FDASRS:0R392X5X26, SureChEMBL:SCHEMBL43655, MolPort-001-793-700

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Chemical structure information

SMILES:
CCC(=O)C(C)C

InChI:
InChI=1S/C6H12O/c1-4-6(7)5(2)3/h5H,4H2,1-3H3

InChIKey:
HYTRYEXINDDXJK-UHFFFAOYSA-N

DeepSMILES:
CCC=O)CC)C

Functional groups:
CC(C)=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Oxygenated hydrocarbons

NP-Likeness score: 0.455

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Chemical structure download