ChemSpider 2D Image | (1S,3aR,5aR,11bS,11cR)-5a-Methoxy-11b-methyl-1-(trimethylsilyl)-1,3a,4,5a,7,8,11b,11c-octahydrocyclopenta[7,8]phenanthro[10,1-bc]furan-6,9-dione | C23H28O4Si

(1S,3aR,5aR,11bS,11cR)-5a-Methoxy-11b-methyl-1-(trimethylsilyl)-1,3a,4,5a,7,8,11b,11c-octahydrocyclopenta[7,8]phenanthro[10,1-bc]furan-6,9-dione

  • Molecular FormulaC23H28O4Si
  • Average mass396.552 Da
  • Monoisotopic mass396.175690 Da
  • ChemSpider ID30659009

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S,3aR,5aR,11bS,11cR)-5a-Methoxy-11b-methyl-1-(trimethylsilyl)-1,3a,4,5a,7,8,11b,11c-octahydrocyclopenta[7,8]phenanthro[10,1-bc]furan-6,9-dion [German] [ACD/IUPAC Name]
(1S,3aR,5aR,11bS,11cR)-5a-Methoxy-11b-methyl-1-(trimethylsilyl)-1,3a,4,5a,7,8,11b,11c-octahydrocyclopenta[7,8]phenanthro[10,1-bc]furan-6,9-dione [ACD/IUPAC Name]
(1S,3aR,5aR,11bS,11cR)-5a-Méthoxy-11b-méthyl-1-(triméthylsilyl)-1,3a,4,5a,7,8,11b,11c-octahydrocyclopenta[7,8]phénanthro[10,1-bc]furane-6,9-dione [French] [ACD/IUPAC Name]
Cyclopenta[7,8]phenanthro[10,1-bc]furan-6,9-dione, 1,3a,4,5a,7,8,11b,11c-octahydro-5a-methoxy-11b-methyl-1-(trimethylsilyl)-, (1S,3aR,5aR,11bS,11cR)- [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: 506.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.7±3.0 kJ/mol
Flash Point: 216.3±25.7 °C
Index of Refraction: 1.581
Molar Refractivity: 109.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.85
ACD/LogD (pH 5.5): 4.62
ACD/BCF (pH 5.5): 1905.41
ACD/KOC (pH 5.5): 7751.97
ACD/LogD (pH 7.4): 4.62
ACD/BCF (pH 7.4): 1905.41
ACD/KOC (pH 7.4): 7751.97
Polar Surface Area: 53 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 44.0±5.0 dyne/cm
Molar Volume: 328.8±5.0 cm3

Click to predict properties on the Chemicalize site


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