ChemSpider 2D Image | 2-Bromo-5-{[(1R,3R)-3-bromo-2,2-dimethyl-6-methylenecyclohexyl]methyl}-1,4-benzenediol | C16H20Br2O2

2-Bromo-5-{[(1R,3R)-3-bromo-2,2-dimethyl-6-methylenecyclohexyl]methyl}-1,4-benzenediol

  • Molecular FormulaC16H20Br2O2
  • Average mass404.137 Da
  • Monoisotopic mass401.983002 Da
  • ChemSpider ID29215983
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

1,4-Benzenediol, 2-bromo-5-[[(1R,3R)-3-bromo-2,2-dimethyl-6-methylenecyclohexyl]methyl]- [ACD/Index Name]
2-Brom-5-{[(1R,3R)-3-brom-2,2-dimethyl-6-methylencyclohexyl]methyl}-1,4-benzoldiol [German] [ACD/IUPAC Name]
2-Bromo-5-{[(1R,3R)-3-bromo-2,2-dimethyl-6-methylenecyclohexyl]methyl}-1,4-benzenediol [ACD/IUPAC Name]
2-Bromo-5-{[(1R,3R)-3-bromo-2,2-diméthyl-6-méthylènecyclohexyl]méthyl}-1,4-benzènediol [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 453.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 74.0±3.0 kJ/mol
Flash Point: 228.0±28.7 °C
Index of Refraction: 1.623
Molar Refractivity: 89.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.17
ACD/LogD (pH 5.5): 5.45
ACD/BCF (pH 5.5): 8101.28
ACD/KOC (pH 5.5): 21842.63
ACD/LogD (pH 7.4): 5.44
ACD/BCF (pH 7.4): 7957.96
ACD/KOC (pH 7.4): 21456.21
Polar Surface Area: 40 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 54.8±5.0 dyne/cm
Molar Volume: 252.4±5.0 cm3

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