Summary

IMPPAT Phytochemical identifier: IMPHY007720

Phytochemical name: Methyl ethyl ketone

Synonymous chemical names:
butan-2-one, butanone, methyl ethyl ketone

External chemical identifiers:
CID:6569, ChEMBL:CHEMBL15849, ChEBI:28398, ZINC:ZINC000000901514, FDASRS:6PT9KLV9IO, SureChEMBL:SCHEMBL1310, MolPort-001-783-785

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Chemical structure information

SMILES:
CCC(=O)C

InChI:
InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3

InChIKey:
ZWEHNKRNPOVVGH-UHFFFAOYSA-N

DeepSMILES:
CCC=O)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: 0.155

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Chemical structure download