Summary

IMPPAT Phytochemical identifier: IMPHY016130

Phytochemical name: Cyclohexyl methyl ketone

Synonymous chemical names:
1-cyclohexenyl methylketone, methyl cyclohexyl ketone

External chemical identifiers:
CID:13207, ZINC:ZINC000001733927, FDASRS:U53404H6B8, SureChEMBL:SCHEMBL28019, MolPort-001-760-909

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Chemical structure information

SMILES:
CC(=O)C1CCCCC1

InChI:
InChI=1S/C8H14O/c1-7(9)8-5-3-2-4-6-8/h8H,2-6H2,1H3

InChIKey:
RIFKADJTWUGDOV-UHFFFAOYSA-N

DeepSMILES:
CC=O)CCCCCC6

Functional groups:
CC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCCCC1

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-Likeness score: 0.218

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Chemical structure download