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

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

  • Molecular FormulaC9H14O
  • Average mass138.207 Da
  • Monoisotopic mass138.104462 Da
  • ChemSpider ID23345602

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(5R)-6,6-Dimethylbicyclo[3.1.1]heptan-2-on [German] [ACD/IUPAC Name]
(5R)-6,6-Dimethylbicyclo[3.1.1]heptan-2-one [ACD/IUPAC Name]
(5R)-6,6-Diméthylbicyclo[3.1.1]heptan-2-one [French] [ACD/IUPAC Name]
Bicyclo[3.1.1]heptan-2-one, 6,6-dimethyl-, (5R)- [ACD/Index Name]
(1R)-(+)-NOPINONE
(1R)-(+)-Nopinone; (1R,5S)-(+)-6,6-Dimethyl-2-oxobicyclo[3.1.1]heptane
(1R,5S)-(+)-6,6-Dimethylbicyclo[3.1.1]heptan-2-one

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

Density: 1.0±0.0 g/cm3
Boiling Point: 196.3±0.0 °C at 760 mmHg
Vapour Pressure: 0.4±0.0 mmHg at 25°C
Enthalpy of Vaporization: 43.2±0.0 kJ/mol
Flash Point: 65.5±0.0 °C
Index of Refraction: 1.479
Molar Refractivity: 39.8±0.0 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): 1.65
ACD/BCF (pH 5.5): 10.55
ACD/KOC (pH 5.5): 187.94
ACD/LogD (pH 7.4): 1.65
ACD/BCF (pH 7.4): 10.55
ACD/KOC (pH 7.4): 187.94
Polar Surface Area: 17 Å2
Polarizability: 15.8±0.0 10-24cm3
Surface Tension: 30.3±0.0 dyne/cm
Molar Volume: 140.1±0.0 cm3

Click to predict properties on the Chemicalize site


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