ChemSpider 2D Image | (1R,5S)-6,6-Dimethyl-2-(~2~H_3_)methylbicyclo[3.1.1]hept-2-ene | C10H13D3

(1R,5S)-6,6-Dimethyl-2-(2H3)methylbicyclo[3.1.1]hept-2-ene

  • Molecular FormulaC10H13D3
  • Average mass139.253 Da
  • Monoisotopic mass139.144028 Da
  • ChemSpider ID107446463

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(1R,5S)-6,6-Dimethyl-2-(2H3)methylbicyclo[3.1.1]hept-2-en [German] [ACD/IUPAC Name]
(1R,5S)-6,6-Dimethyl-2-(2H3)methylbicyclo[3.1.1]hept-2-ene [ACD/IUPAC Name]
(1R,5S)-6,6-Diméthyl-2-(2H3)méthylbicyclo[3.1.1]hept-2-ène [French] [ACD/IUPAC Name]
Bicyclo[3.1.1]hept-2-ene, 6,6-dimethyl-2-(methyl-d3)-, (1R,5S)- [ACD/Index Name]
1903007-82-8 [RN]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 157.9±7.0 °C at 760 mmHg
Vapour Pressure: 3.5±0.1 mmHg at 25°C
Enthalpy of Vaporization: 37.8±0.8 kJ/mol
Flash Point: 32.2±0.0 °C
Index of Refraction: 1.479
Molar Refractivity: 44.0±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.37
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 821.53
ACD/KOC (pH 5.5): 4245.11
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 821.53
ACD/KOC (pH 7.4): 4245.11
Polar Surface Area: 0 Å2
Polarizability: 17.4±0.5 10-24cm3
Surface Tension: 25.3±3.0 dyne/cm
Molar Volume: 154.9±3.0 cm3

Click to predict properties on the Chemicalize site


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