Summary

IMPPAT Phytochemical identifier: IMPHY016089

Phytochemical name: 3-(6,6-Dimethyl-5-oxohept-2-enyl)-cyclohexanone

Synonymous chemical names:
(m)3-(6,6-dimethyl-5-oxohept-2-enyl)-cyclohexanone

External chemical identifiers:
CID:5364977

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Chemical structure information

SMILES:
O=C1CCCC(C1)C/C=C/CC(=O)C(C)(C)C

InChI:
InChI=1S/C15H24O2/c1-15(2,3)14(17)10-5-4-7-12-8-6-9-13(16)11-12/h4-5,12H,6-11H2,1-3H3/b5-4+

InChIKey:
VFYSPNFFKAHOOB-SNAWJCMRSA-N

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

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCCC1

Scaffold Graph/Node level:
OC1CCCCC1

Scaffold Graph level:
CC1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP-Likeness score: 1.011

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Chemical structure download