Cyclohexenylcyclohexanone
Properties
- Molecular formula
- C12H18O
- Molar mass
- 178.27 g/mol
- Exact mass
- 178.1358 Da
- Density
- 1.015 g/mL (at 19 °C)
- Melting point
- −78 °C
- Boiling point
- 265 °C
- logP
- 3.25Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Identifiers
CAS number
1502-22-3SMILES
O=C1CCCCC1C1=CCCCC1InChIKey
GVNVAWHJIKLAGL-UHFFFAOYSA-NInChI
InChI=1S/C12H18O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h6,11H,1-5,7-9H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- Cyclohexanone, 2-(1-cyclohexen-1-yl)-
- 2-(1-Cyclohexen-1-yl)cyclohexanone
- 2-(Cyclohex-1-enyl)cyclohexanone
- CHCH
- 1-(2-Oxocyclohexyl)cyclohexene
- NSC 518776
- 2-(Cyclohex-1-en-1-yl)cyclohexan-1-one
Work with Cyclohexenylcyclohexanone
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
2-Acetylcyclohexanone874-23-750 % similar
Methyl 2-cyclohexanonecarboxylate41302-34-546 % similar
Ethyl 2-oxocyclohexanecarboxylate1655-07-843 % similar
2-Acetylcyclopentanone1670-46-842 % similar
2-Methylcyclohexanone583-60-841 % similar
2-Bromocyclohexanone822-85-541 % similar
2-Cyclohexylcyclohexanone90-42-639 % similar
Methyl 2-oxocyclopentanecarboxylate10472-24-939 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds