ChemSpider 2D Image | (4aS,6aS,11aR,11bS)-8-Bromo-7,10-dimethoxy-4,4,6a,11b-tetramethyl-2,3,4,4a,5,6,6a,11,11a,11b-decahydro-1H-benzo[a]fluorene | C23H33BrO2

(4aS,6aS,11aR,11bS)-8-Bromo-7,10-dimethoxy-4,4,6a,11b-tetramethyl-2,3,4,4a,5,6,6a,11,11a,11b-decahydro-1H-benzo[a]fluorene

  • Molecular FormulaC23H33BrO2
  • Average mass421.411 Da
  • Monoisotopic mass420.166382 Da
  • ChemSpider ID29545568
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(4aS,6aS,11aR,11bS)-8-Brom-7,10-dimethoxy-4,4,6a,11b-tetramethyl-2,3,4,4a,5,6,6a,11,11a,11b-decahydro-1H-benzo[a]fluoren [German] [ACD/IUPAC Name]
(4aS,6aS,11aR,11bS)-8-Bromo-7,10-dimethoxy-4,4,6a,11b-tetramethyl-2,3,4,4a,5,6,6a,11,11a,11b-decahydro-1H-benzo[a]fluorene [ACD/IUPAC Name]
(4aS,6aS,11aR,11bS)-8-Bromo-7,10-diméthoxy-4,4,6a,11b-tétraméthyl-2,3,4,4a,5,6,6a,11,11a,11b-décahydro-1H-benzo[a]fluorène [French] [ACD/IUPAC Name]
1H-Benzo[a]fluorene, 8-bromo-2,3,4,4a,5,6,6a,11,11a,11b-decahydro-7,10-dimethoxy-4,4,6a,11b-tetramethyl-, (4aS,6aS,11aR,11bS)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 469.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.4±3.0 kJ/mol
Flash Point: 166.9±24.2 °C
Index of Refraction: 1.539
Molar Refractivity: 111.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 9.00
ACD/LogD (pH 5.5): 7.90
ACD/BCF (pH 5.5): 597971.50
ACD/KOC (pH 5.5): 474808.44
ACD/LogD (pH 7.4): 7.90
ACD/BCF (pH 7.4): 597971.50
ACD/KOC (pH 7.4): 474808.44
Polar Surface Area: 18 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 38.5±3.0 dyne/cm
Molar Volume: 354.6±3.0 cm3

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