ChemSpider 2D Image | (8beta,11alpha)-8-(1-Phenylvinyl)-1,6:7,14-dicycloprosta-1,3,5,7(14)-tetraen-11-yl acetate | C30H36O2

(8β,11α)-8-(1-Phenylvinyl)-1,6:7,14-dicycloprosta-1,3,5,7(14)-tetraen-11-yl acetate

  • Molecular FormulaC30H36O2
  • Average mass428.606 Da
  • Monoisotopic mass428.271515 Da
  • ChemSpider ID26336010

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(8β,11α)-8-(1-Phenylvinyl)-1,6:7,14-dicycloprosta-1,3,5,7(14)-tetraen-11-yl acetate [ACD/IUPAC Name]
(8β,11α)-8-(1-Phenylvinyl)-1,6:7,14-dicycloprosta-1,3,5,7(14)-tetraen-11-yl-acetat [German] [ACD/IUPAC Name]
1-Pentalenol, 5-hexyl-1,2,3,3a,6,6a-hexahydro-4-phenyl-3a-(1-phenylethenyl)-, acetate, (1R,3aR,6aR)- [ACD/Index Name]
Acétate de (8β,11α)-8-(1-phénylvinyl)-1,6:7,14-dicycloprosta-1,3,5,7(14)-tétraén-11-yle [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 533.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.0±3.0 kJ/mol
Flash Point: 274.1±17.7 °C
Index of Refraction: 1.575
Molar Refractivity: 131.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 8.92
ACD/LogD (pH 5.5): 9.23
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2486868.25
ACD/LogD (pH 7.4): 9.23
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2486868.25
Polar Surface Area: 26 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 43.6±5.0 dyne/cm
Molar Volume: 398.1±5.0 cm3

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