ChemSpider 2D Image | 5-[(1R,5S,6S)-5-Bromo-2,6-dimethyl-6-(4-methyl-3-penten-1-yl)-2-cyclohexen-1-yl]-3-methyl-1-penten-3-ol | C20H33BrO

5-[(1R,5S,6S)-5-Bromo-2,6-dimethyl-6-(4-methyl-3-penten-1-yl)-2-cyclohexen-1-yl]-3-methyl-1-penten-3-ol

  • Molecular FormulaC20H33BrO
  • Average mass369.379 Da
  • Monoisotopic mass368.171478 Da
  • ChemSpider ID35516728

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

2-Cyclohexene-1-propanol, 5-bromo-α-ethenyl-α,2,6-trimethyl-6-(4-methyl-3-penten-1-yl)-, (1R,5S,6S)- [ACD/Index Name]
5-[(1R,5S,6S)-5-Brom-2,6-dimethyl-6-(4-methyl-3-penten-1-yl)-2-cyclohexen-1-yl]-3-methyl-1-penten-3-ol [German] [ACD/IUPAC Name]
5-[(1R,5S,6S)-5-Bromo-2,6-dimethyl-6-(4-methyl-3-penten-1-yl)-2-cyclohexen-1-yl]-3-methyl-1-penten-3-ol [ACD/IUPAC Name]
5-[(1R,5S,6S)-5-Bromo-2,6-diméthyl-6-(4-méthyl-3-pentén-1-yl)-2-cyclohexén-1-yl]-3-méthyl-1-pentén-3-ol [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 416.5±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 77.4±6.0 kJ/mol
Flash Point: 205.7±25.4 °C
Index of Refraction: 1.501
Molar Refractivity: 101.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.31
ACD/LogD (pH 5.5): 6.93
ACD/BCF (pH 5.5): 107927.25
ACD/KOC (pH 5.5): 139409.95
ACD/LogD (pH 7.4): 6.93
ACD/BCF (pH 7.4): 107927.25
ACD/KOC (pH 7.4): 139409.95
Polar Surface Area: 20 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 31.9±3.0 dyne/cm
Molar Volume: 343.8±3.0 cm3

Click to predict properties on the Chemicalize site


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