ChemSpider 2D Image | 5-{(1R,2S,3S)-3-Bromo-2-[2-(3,3-dimethyl-2-oxiranyl)ethyl]-2-methyl-6-methylenecyclohexyl}-3-methyl-1-penten-3-ol | C20H33BrO2

5-{(1R,2S,3S)-3-Bromo-2-[2-(3,3-dimethyl-2-oxiranyl)ethyl]-2-methyl-6-methylenecyclohexyl}-3-methyl-1-penten-3-ol

  • Molecular FormulaC20H33BrO2
  • Average mass385.379 Da
  • Monoisotopic mass384.166382 Da
  • ChemSpider ID35516849

  • 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-[2-(3,3-dimethyl-2-oxiranyl)ethyl]-2-methyl-6-methylencyclohexyl}-3-methyl-1-penten-3-ol [German] [ACD/IUPAC Name]
5-{(1R,2S,3S)-3-Bromo-2-[2-(3,3-dimethyl-2-oxiranyl)ethyl]-2-methyl-6-methylenecyclohexyl}-3-methyl-1-penten-3-ol [ACD/IUPAC Name]
5-{(1R,2S,3S)-3-Bromo-2-[2-(3,3-diméthyl-2-oxiranyl)éthyl]-2-méthyl-6-méthylènecyclohexyl}-3-méthyl-1-pentén-3-ol [French] [ACD/IUPAC Name]
Cyclohexanepropanol, 3-bromo-2-[2-(3,3-dimethyloxiranyl)ethyl]-α-ethenyl-α,2-dimethyl-6-methylene-, (1R,2S,3S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 429.0±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 79.0±6.0 kJ/mol
Flash Point: 213.2±25.9 °C
Index of Refraction: 1.523
Molar Refractivity: 100.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.05
ACD/LogD (pH 5.5): 5.03
ACD/BCF (pH 5.5): 3948.75
ACD/KOC (pH 5.5): 13059.89
ACD/LogD (pH 7.4): 5.03
ACD/BCF (pH 7.4): 3948.75
ACD/KOC (pH 7.4): 13059.89
Polar Surface Area: 33 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 38.0±5.0 dyne/cm
Molar Volume: 330.2±5.0 cm3

Click to predict properties on the Chemicalize site


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