ChemSpider 2D Image | {(1S,4S)-4-[(1S,4S)-4-Bromo-3,3-dimethylcyclohexyl]-2,3-dioxabicyclo[2.2.2]oct-5-en-1-yl}methanol | C15H23BrO3

{(1S,4S)-4-[(1S,4S)-4-Bromo-3,3-dimethylcyclohexyl]-2,3-dioxabicyclo[2.2.2]oct-5-en-1-yl}methanol

  • Molecular FormulaC15H23BrO3
  • Average mass331.245 Da
  • Monoisotopic mass330.083038 Da
  • ChemSpider ID29216750
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

{(1S,4S)-4-[(1S,4S)-4-Brom-3,3-dimethylcyclohexyl]-2,3-dioxabicyclo[2.2.2]oct-5-en-1-yl}methanol [German] [ACD/IUPAC Name]
{(1S,4S)-4-[(1S,4S)-4-Bromo-3,3-dimethylcyclohexyl]-2,3-dioxabicyclo[2.2.2]oct-5-en-1-yl}methanol [ACD/IUPAC Name]
{(1S,4S)-4-[(1S,4S)-4-Bromo-3,3-diméthylcyclohexyl]-2,3-dioxabicyclo[2.2.2]oct-5-én-1-yl}méthanol [French] [ACD/IUPAC Name]
2,3-Dioxabicyclo[2.2.2]oct-5-ene-1-methanol, 4-[(1S,4S)-4-bromo-3,3-dimethylcyclohexyl]-, (1S,4S)- [ACD/Index Name]
majapolene A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 367.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 71.1±6.0 kJ/mol
Flash Point: 176.3±27.9 °C
Index of Refraction: 1.560
Molar Refractivity: 77.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 148.17
ACD/KOC (pH 5.5): 1245.76
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 148.17
ACD/KOC (pH 7.4): 1245.76
Polar Surface Area: 39 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 239.3±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement