Summary

IMPPAT Phytochemical identifier: IMPHY017249

Phytochemical name: 3-Methylheptan-4-one

Synonymous chemical names:
3-methyl-4-heptanone

External chemical identifiers:
CID:27470, SureChEMBL:SCHEMBL105901, MolPort-006-121-574

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Chemical structure information

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

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

InChIKey:
NHIMSNHOEAVUKE-UHFFFAOYSA-N

DeepSMILES:
CCCC=O)CCC))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: 0.819

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Chemical structure download