ChemSpider 2D Image | (1aR,1bR,5aR,6aS,8aS)-6,6-Dibromo-2,2,5a,8a-tetramethyldecahydro-1bH-cyclopropa[1',7']cyclohepta[1',2':5,6]benzo[1,2-b]oxirene | C16H24Br2O

(1aR,1bR,5aR,6aS,8aS)-6,6-Dibromo-2,2,5a,8a-tetramethyldecahydro-1bH-cyclopropa[1',7']cyclohepta[1',2':5,6]benzo[1,2-b]oxirene

  • Molecular FormulaC16H24Br2O
  • Average mass392.169 Da
  • Monoisotopic mass390.019379 Da
  • ChemSpider ID30658376

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1aR,1bR,5aR,6aS,8aS)-6,6-Dibrom-2,2,5a,8a-tetramethyldecahydro-1bH-cyclopropa[1',7']cyclohepta[1',2':5,6]benzo[1,2-b]oxiren [German] [ACD/IUPAC Name]
(1aR,1bR,5aR,6aS,8aS)-6,6-Dibromo-2,2,5a,8a-tetramethyldecahydro-1bH-cyclopropa[1',7']cyclohepta[1',2':5,6]benzo[1,2-b]oxirene [ACD/IUPAC Name]
(1aR,1bR,5aR,6aS,8aS)-6,6-Dibromo-2,2,5a,8a-tétraméthyldécahydro-1bH-cyclopropa[1',7']cyclohepta[1',2':5,6]benzo[1,2-b]oxirène [French] [ACD/IUPAC Name]
3H-Cyclopropa[1',7']cyclohepta[1',2':5,6]benz[1,2-b]oxirene, 6,6-dibromodecahydro-2,2,5a,8a-tetramethyl-, (1aR,1bR,5aR,6aS,8aS)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 372.3±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.5±3.0 kJ/mol
Flash Point: 152.6±23.6 °C
Index of Refraction: 1.587
Molar Refractivity: 85.2±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.92
ACD/LogD (pH 5.5): 4.96
ACD/BCF (pH 5.5): 3448.07
ACD/KOC (pH 5.5): 11852.00
ACD/LogD (pH 7.4): 4.96
ACD/BCF (pH 7.4): 3448.07
ACD/KOC (pH 7.4): 11852.00
Polar Surface Area: 13 Å2
Polarizability: 33.8±0.5 10-24cm3
Surface Tension: 45.0±5.0 dyne/cm
Molar Volume: 253.4±5.0 cm3

Click to predict properties on the Chemicalize site


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