ChemSpider 2D Image | {[(2Z,3E)-2,3-Bis(hydroxymethylene)-4-(oxomethylene)cyclohexyl](dicyclohexyl)phosphoranylidene}methanone | C22H31O4P

{[(2Z,3E)-2,3-Bis(hydroxymethylene)-4-(oxomethylene)cyclohexyl](dicyclohexyl)phosphoranylidene}methanone

  • Molecular FormulaC22H31O4P
  • Average mass390.453 Da
  • Monoisotopic mass390.195984 Da
  • ChemSpider ID95569130

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

{[(2Z,3E)-2,3-Bis(hydroxymethylen)-4-(oxomethylen)cyclohexyl](dicyclohexyl)phosphoranyliden}methanon [German] [ACD/IUPAC Name]
{[(2Z,3E)-2,3-Bis(hydroxymethylene)-4-(oxomethylene)cyclohexyl](dicyclohexyl)phosphoranylidene}methanone [ACD/IUPAC Name]
{[(2Z,3E)-2,3-Bis(hydroxyméthylène)-4-(oxométhylène)cyclohexyl](dicyclohexyl)phosphoranylidène}méthanone [French] [ACD/IUPAC Name]
Methanone, [[(2Z,3E)-4-carbonyl-2,3-bis(hydroxymethylene)cyclohexyl]dicyclohexylphosphoranylidene]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 529.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 92.6±6.0 kJ/mol
Flash Point: 274.3±32.9 °C
Index of Refraction: 1.546
Molar Refractivity: 107.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.91
ACD/LogD (pH 5.5): 1.45
ACD/BCF (pH 5.5): 3.58
ACD/KOC (pH 5.5): 36.53
ACD/LogD (pH 7.4): -0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 84 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 34.1±5.0 dyne/cm
Molar Volume: 338.3±5.0 cm3

Click to predict properties on the Chemicalize site


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