Summary

IMPPAT Phytochemical identifier: IMPHY016471

Phytochemical name: 6-Methylhept-5-en-3-one

Synonymous chemical names:
6-methyl-5-hepten-3-one

External chemical identifiers:
CID:13115241, SureChEMBL:SCHEMBL9445371

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Chemical structure information

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

InChI:
InChI=1S/C8H14O/c1-4-8(9)6-5-7(2)3/h5H,4,6H2,1-3H3

InChIKey:
RHAVXGQNJASKJW-UHFFFAOYSA-N

DeepSMILES:
CCC=O)CC=CC)C

Functional groups:
CC(C)=O, CC=C(C)C

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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: 1.594

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Chemical structure download