Found 18 results

Search term: MF = 'C_{42}H_{36}O_{4}'
ChemSpider 2D Image | Dimethyl {[(1S,3S)-1-benzyl-3-(2,2-diphenylvinyl)-2,2-diphenylcyclopropyl]methylene}malonate | C42H36O4

Dimethyl {[(1S,3S)-1-benzyl-3-(2,2-diphenylvinyl)-2,2-diphenylcyclopropyl]methylene}malonate

  • Molecular FormulaC42H36O4
  • Average mass604.733 Da
  • Monoisotopic mass604.261353 Da
  • ChemSpider ID8850510

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

{[(1S,3S)-1-Benzyl-3-(2,2-diphénylvinyl)-2,2-diphénylcyclopropyl]méthylène}malonate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl {[(1S,3S)-1-benzyl-3-(2,2-diphenylvinyl)-2,2-diphenylcyclopropyl]methylene}malonate [ACD/IUPAC Name]
Dimethyl-{[(1S,3S)-1-benzyl-3-(2,2-diphenylvinyl)-2,2-diphenylcyclopropyl]methylen}malonat [German] [ACD/IUPAC Name]
Propanedioic acid, 2-[[(1S,3S)-3-(2,2-diphenylethenyl)-2,2-diphenyl-1-(phenylmethyl)cyclopropyl]methylene]-, dimethyl ester [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: 686.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.7±3.0 kJ/mol
Flash Point: 340.8±29.9 °C
Index of Refraction: 1.673
Molar Refractivity: 185.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 10.82
ACD/LogD (pH 5.5): 9.94
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 6121658.00
ACD/LogD (pH 7.4): 9.94
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 6121658.00
Polar Surface Area: 53 Å2
Polarizability: 73.4±0.5 10-24cm3
Surface Tension: 54.9±3.0 dyne/cm
Molar Volume: 493.5±3.0 cm3

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