ChemSpider 2D Image | (1S,3R,4S,4aS,6R,8aR)-1,3-Dibromo-6-isopropyl-4,4a-dimethyloctahydro-2(1H)-naphthalenone | C15H24Br2O

(1S,3R,4S,4aS,6R,8aR)-1,3-Dibromo-6-isopropyl-4,4a-dimethyloctahydro-2(1H)-naphthalenone

  • Molecular FormulaC15H24Br2O
  • Average mass380.159 Da
  • Monoisotopic mass378.019379 Da
  • ChemSpider ID26231312

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1S,3R,4S,4aS,6R,8aR)-1,3-Dibrom-6-isopropyl-4,4a-dimethyloctahydro-2(1H)-naphthalinon [German] [ACD/IUPAC Name]
(1S,3R,4S,4aS,6R,8aR)-1,3-Dibromo-6-isopropyl-4,4a-diméthyloctahydro-2(1H)-naphtalénone [French] [ACD/IUPAC Name]
(1S,3R,4S,4aS,6R,8aR)-1,3-Dibromo-6-isopropyl-4,4a-dimethyloctahydro-2(1H)-naphthalenone [ACD/IUPAC Name]
2(1H)-Naphthalenone, 1,3-dibromooctahydro-4,4a-dimethyl-6-(1-methylethyl)-, (1S,3R,4S,4aS,6R,8aR)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 374.4±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.2±3.0 kJ/mol
Flash Point: 59.9±10.3 °C
Index of Refraction: 1.526
Molar Refractivity: 83.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.37
ACD/LogD (pH 5.5): 4.82
ACD/BCF (pH 5.5): 2706.86
ACD/KOC (pH 5.5): 9966.78
ACD/LogD (pH 7.4): 4.82
ACD/BCF (pH 7.4): 2706.86
ACD/KOC (pH 7.4): 9966.78
Polar Surface Area: 17 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 36.9±3.0 dyne/cm
Molar Volume: 270.5±3.0 cm3

Click to predict properties on the Chemicalize site


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