ChemSpider 2D Image | (1R,5R)-6,6-dimethylbicyclo[3.1.1]heptan-2-one | C9H14O

(1R,5R)-6,6-dimethylbicyclo[3.1.1]heptan-2-one

  • Molecular FormulaC9H14O
  • Average mass138.207 Da
  • Monoisotopic mass138.104462 Da
  • ChemSpider ID62879825

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,5R)-6,6-Dimethylbicyclo[3.1.1]heptan-2-on [German] [ACD/IUPAC Name]
(1R,5R)-6,6-dimethylbicyclo[3.1.1]heptan-2-one [ACD/IUPAC Name]
(1R,5R)-6,6-Diméthylbicyclo[3.1.1]heptan-2-one [French] [ACD/IUPAC Name]
Bicyclo[3.1.1]heptan-2-one, 6,6-dimethyl-, (1R,5R)- [ACD/Index Name]
953414-33-0 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 196.3±8.0 °C at 760 mmHg
Vapour Pressure: 0.4±0.4 mmHg at 25°C
Enthalpy of Vaporization: 43.2±3.0 kJ/mol
Flash Point: 65.5±10.7 °C
Index of Refraction: 1.480
Molar Refractivity: 39.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.65
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 29.05
ACD/KOC (pH 5.5): 388.10
ACD/LogD (pH 7.4): 2.23
ACD/BCF (pH 7.4): 29.05
ACD/KOC (pH 7.4): 388.10
Polar Surface Area: 17 Å2
Polarizability: 15.8±0.5 10-24cm3
Surface Tension: 30.3±3.0 dyne/cm
Molar Volume: 140.1±3.0 cm3

Click to predict properties on the Chemicalize site


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