Summary

IMPPAT Phytochemical identifier: IMPHY016640

Phytochemical name: 1-(1,3-Dimethyl-3-cyclohexen-1-yl)ethanone

Synonymous chemical names:
ethanone 1-(1,3-dimethyl-3-cyclohexen-1-yl)-

External chemical identifiers:
CID:572956

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Chemical structure information

SMILES:
CC1=CCCC(C1)(C)C(=O)C

InChI:
InChI=1S/C10H16O/c1-8-5-4-6-10(3,7-8)9(2)11/h5H,4,6-7H2,1-3H3

InChIKey:
NGMHFVSDLMVOLY-UHFFFAOYSA-N

DeepSMILES:
CC=CCCCC6)C)C=O)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCCC1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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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: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Monocyclic monoterpenoids

NP-Likeness score: 2.095

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Chemical structure download