Summary

IMPPAT Phytochemical identifier: IMPHY011013

Phytochemical name: 3-Methyl-2-pentanone

Synonymous chemical names:
3-methyl-2-pentanone

External chemical identifiers:
CID:11262, ChEMBL:CHEMBL3182903, SureChEMBL:SCHEMBL93407, MolPort-001-793-386

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Chemical structure information

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

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

InChIKey:
UIHCLUNTQKBZGK-UHFFFAOYSA-N

DeepSMILES:
CCCC=O)C))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: 0.633

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Chemical structure download