Summary

IMPPAT Phytochemical identifier: IMPHY017930

Phytochemical name: 2-Isopropylidencyclohexanon

Synonymous chemical names:
2-isopropylidencyclohexanon

Chemical structure information

SMILES:
CC(=C1CCCCC1=O)C

InChI:
InChI=1S/C9H14O/c1-7(2)8-5-3-4-6-9(8)10/h3-6H2,1-2H3

InChIKey:
MMTBDIDPDFBJIC-UHFFFAOYSA-N

DeepSMILES:
CC=CCCCCC6=O)))))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCCC1=O

Scaffold Graph/Node level:
CC1CCCCC1O

Scaffold Graph level:
CC1CCCCC1C

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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: Menthane monoterpenoids, Monocyclic monoterpenoids

NP-Likeness score: 0.881

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Chemical structure download