ChemSpider 2D Image | 5-[(1R,2S,3S)-3-Bromo-2-(3-bromo-4-hydroxy-4-methylpentyl)-2-methyl-6-methylenecyclohexyl]-3-methyl-1-penten-3-ol | C20H34Br2O2

5-[(1R,2S,3S)-3-Bromo-2-(3-bromo-4-hydroxy-4-methylpentyl)-2-methyl-6-methylenecyclohexyl]-3-methyl-1-penten-3-ol

  • Molecular FormulaC20H34Br2O2
  • Average mass466.291 Da
  • Monoisotopic mass464.092529 Da
  • ChemSpider ID35516846

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

5-[(1R,2S,3S)-3-Brom-2-(3-brom-4-hydroxy-4-methylpentyl)-2-methyl-6-methylencyclohexyl]-3-methyl-1-penten-3-ol [German] [ACD/IUPAC Name]
5-[(1R,2S,3S)-3-Bromo-2-(3-bromo-4-hydroxy-4-methylpentyl)-2-methyl-6-methylenecyclohexyl]-3-methyl-1-penten-3-ol [ACD/IUPAC Name]
5-[(1R,2S,3S)-3-Bromo-2-(3-bromo-4-hydroxy-4-méthylpentyl)-2-méthyl-6-méthylènecyclohexyl]-3-méthyl-1-pentén-3-ol [French] [ACD/IUPAC Name]
Cyclohexanebutanol, β,6-dibromo-2-(3-hydroxy-3-methyl-4-penten-1-yl)-α,α,1-trimethyl-3-methylene-, (1S,2R,6S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 489.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 87.1±6.0 kJ/mol
Flash Point: 249.9±27.3 °C
Index of Refraction: 1.537
Molar Refractivity: 110.4±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.60
ACD/LogD (pH 5.5): 5.28
ACD/BCF (pH 5.5): 6028.71
ACD/KOC (pH 5.5): 17679.75
ACD/LogD (pH 7.4): 5.28
ACD/BCF (pH 7.4): 6028.71
ACD/KOC (pH 7.4): 17679.75
Polar Surface Area: 40 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 41.8±5.0 dyne/cm
Molar Volume: 353.5±5.0 cm3

Click to predict properties on the Chemicalize site


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