chempirical

2,6-Dibenzylidenecyclohexanone

C20H18OCAS 897-78-9274.36 g/mol

Open in Covalent MOL file
O
AlkeneKetone

Properties

Molecular formula
C20H18O
Molar mass
274.36 g/mol
Exact mass
274.1358 Da
Density
1.18 g/mL
Melting point
117.5 °C
Boiling point
185–195 °C (at 20 Torr)
logP
4.91Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
897-78-9
SMILES
O=C1C(=Cc2ccccc2)CCCC1=Cc1ccccc1
InChIKey
CTKKGXDAWIAYSA-UHFFFAOYSA-N
InChI
InChI=1S/C20H18O/c21-20-18(14-16-8-3-1-4-9-16)12-7-13-19(20)15-17-10-5-2-6-11-17/h1-6,8-11,14-15H,7,12-13H2

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

8 names
  • Cyclohexanone, 2,6-bis(phenylmethylene)-
  • Cyclohexanone, 2,6-dibenzylidene-
  • 2,6-Bis(phenylmethylene)cyclohexanone
  • 2,6-Dibenzalcyclohexanone
  • NSC 2384
  • NSC 40618
  • 2,6-Dibenzylidenecyclohexan-1-one
  • 2,6-Bis(dibenzylidene)cyclohexanone

Work with 2,6-Dibenzylidenecyclohexanone

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Benzylidenecyclohexanone5682-83-765 % similar 4-Benzylidene-2,6-di-tert-butylcyclohexa-2,5-dienone7078-98-045 % similar Diethyl benzylidenemalonate5292-53-542 % similar 3-(Phenylmethylene)-2,4-pentanedione4335-90-441 % similar Benzylidenephthalide575-61-141 % similar Amylcinnamaldehyde122-40-740 % similar 3-Methyl-4-phenyl-3-buten-2-one1901-26-440 % similar Hexyl cinnamaldehyde101-86-039 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook