Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018151

Phytochemical name: 4-Methyl-3-heptanone

Synonymous chemical names:
4-Methyl-3-heptanone

External chemical identifiers:
CID:CID_22512, ChEBI:CHEBI:195232, FDASRS:A4JK9GW89J

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Chemical structure information

SMILES:
CCCC(C(=O)CC)C

InChI:
InChI=1S/C8H16O/c1-4-6-7(3)8(9)5-2/h7H,4-6H2,1-3H3

InChIKey:
MVLRILUUXLBENA-UHFFFAOYSA-N

DeepSMILES:
CCCCC=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: 0.51

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Chemical structure download