Summary

IMPPAT Phytochemical identifier: IMPHY015366

Phytochemical name: 4,6-Dimethyl-5-hepten-2-one

Synonymous chemical names:
4,6-dimethylhept-5-en-2-one

External chemical identifiers:
CID:537122, SureChEMBL:SCHEMBL11448673

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Chemical structure information

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

InChI:
InChI=1S/C9H16O/c1-7(2)5-8(3)6-9(4)10/h5,8H,6H2,1-4H3

InChIKey:
SUBNDNOQXVTHOF-UHFFFAOYSA-N

DeepSMILES:
CC=O)CCC=CC)C)))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: 1.837

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Chemical structure download