ChemSpider 2D Image | (1R,2S,4R,5S,6R)-2,4-Dimethyl-6-phenyl-8-oxabicyclo[3.2.1]octan-3-one | C15H18O2

(1R,2S,4R,5S,6R)-2,4-Dimethyl-6-phenyl-8-oxabicyclo[3.2.1]octan-3-one

  • Molecular FormulaC15H18O2
  • Average mass230.302 Da
  • Monoisotopic mass230.130676 Da
  • ChemSpider ID24735357

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,2S,4R,5S,6R)-2,4-Dimethyl-6-phenyl-8-oxabicyclo[3.2.1]octan-3-on [German] [ACD/IUPAC Name]
(1R,2S,4R,5S,6R)-2,4-Dimethyl-6-phenyl-8-oxabicyclo[3.2.1]octan-3-one [ACD/IUPAC Name]
(1R,2S,4R,5S,6R)-2,4-Diméthyl-6-phényl-8-oxabicyclo[3.2.1]octan-3-one [French] [ACD/IUPAC Name]
8-Oxabicyclo[3.2.1]octan-3-one, 2,4-dimethyl-6-phenyl-, (1R,2S,4R,5S,6R)- [ACD/Index 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: 352.3±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.7±3.0 kJ/mol
Flash Point: 153.8±18.1 °C
Index of Refraction: 1.526
Molar Refractivity: 65.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.45
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 57.18
ACD/KOC (pH 5.5): 630.15
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 57.18
ACD/KOC (pH 7.4): 630.15
Polar Surface Area: 26 Å2
Polarizability: 26.1±0.5 10-24cm3
Surface Tension: 34.6±3.0 dyne/cm
Molar Volume: 214.7±3.0 cm3

Click to predict properties on the Chemicalize site


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