Summary

IMPPAT Phytochemical identifier: IMPHY017081

Phytochemical name: 2-Cyclohexylidenecyclohexanone

Synonymous chemical names:
bicyclohexyliden-2-one

External chemical identifiers:
CID:13892, ZINC:ZINC000001690732, FDASRS:G1VAK47QOV, SureChEMBL:SCHEMBL131908

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Chemical structure information

SMILES:
O=C1CCCCC1=C1CCCCC1

InChI:
InChI=1S/C12H18O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H2

InChIKey:
TYDSIOSLHQWFOU-UHFFFAOYSA-N

DeepSMILES:
O=CCCCCC6=CCCCCC6

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

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Molecular scaffolds

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

Scaffold Graph/Node level:
OC1CCCCC1C1CCCCC1

Scaffold Graph level:
CC1CCCCC1C1CCCCC1

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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: 0.606

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Chemical structure download