ChemSpider 2D Image | (1R,2S,5R)-6,6-Dimethylbicyclo[3.1.1]heptan-2-ol | C9H16O

(1R,2S,5R)-6,6-Dimethylbicyclo[3.1.1]heptan-2-ol

  • Molecular FormulaC9H16O
  • Average mass140.223 Da
  • Monoisotopic mass140.120117 Da
  • ChemSpider ID61695776

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,2S,5R)-6,6-Dimethylbicyclo[3.1.1]heptan-2-ol [German] [ACD/IUPAC Name]
(1R,2S,5R)-6,6-Dimethylbicyclo[3.1.1]heptan-2-ol [ACD/IUPAC Name]
(1R,2S,5R)-6,6-Diméthylbicyclo[3.1.1]heptan-2-ol [French] [ACD/IUPAC Name]
Bicyclo[3.1.1]heptan-2-ol, 6,6-dimethyl-, (1R,2S,5R)- [ACD/Index Name]
934805-42-2 [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: 199.1±8.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.8 mmHg at 25°C
Enthalpy of Vaporization: 50.6±6.0 kJ/mol
Flash Point: 78.8±10.9 °C
Index of Refraction: 1.498
Molar Refractivity: 41.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.23
ACD/LogD (pH 5.5): 2.78
ACD/BCF (pH 5.5): 75.72
ACD/KOC (pH 5.5): 770.48
ACD/LogD (pH 7.4): 2.78
ACD/BCF (pH 7.4): 75.72
ACD/KOC (pH 7.4): 770.48
Polar Surface Area: 20 Å2
Polarizability: 16.4±0.5 10-24cm3
Surface Tension: 33.7±3.0 dyne/cm
Molar Volume: 140.6±3.0 cm3

Click to predict properties on the Chemicalize site


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