ChemSpider 2D Image | (1R,4R)-3-Benzoyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one | C17H20O2

(1R,4R)-3-Benzoyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one

  • Molecular FormulaC17H20O2
  • Average mass256.340 Da
  • Monoisotopic mass256.146332 Da
  • ChemSpider ID25938349

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(1R,4R)-3-Benzoyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-on [German] [ACD/IUPAC Name]
(1R,4R)-3-Benzoyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one [ACD/IUPAC Name]
(1R,4R)-3-Benzoyl-1,7,7-triméthylbicyclo[2.2.1]heptan-2-one [French] [ACD/IUPAC Name]
Bicyclo[2.2.1]heptan-2-one, 3-benzoyl-1,7,7-trimethyl-, (1R,4R)- [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: 366.9±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.3±3.0 kJ/mol
Flash Point: 137.6±20.2 °C
Index of Refraction: 1.552
Molar Refractivity: 74.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.08
ACD/LogD (pH 5.5): 3.24
ACD/BCF (pH 5.5): 169.87
ACD/KOC (pH 5.5): 1373.80
ACD/LogD (pH 7.4): 3.23
ACD/BCF (pH 7.4): 169.22
ACD/KOC (pH 7.4): 1368.53
Polar Surface Area: 34 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 40.3±3.0 dyne/cm
Molar Volume: 231.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement