ChemSpider 2D Image | (1R,4S)-1,7,7-Trimethyl(3,3-~2~H_2_)bicyclo[2.2.1]heptan-2-one | C10H14D2O

(1R,4S)-1,7,7-Trimethyl(3,3-2H2)bicyclo[2.2.1]heptan-2-one

  • Molecular FormulaC10H14D2O
  • Average mass154.246 Da
  • Monoisotopic mass154.132675 Da
  • ChemSpider ID111309987

  • 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,4S)-1,7,7-Trimethyl(3,3-2H2)bicyclo[2.2.1]heptan-2-on [German] [ACD/IUPAC Name]
(1R,4S)-1,7,7-Trimethyl(3,3-2H2)bicyclo[2.2.1]heptan-2-one [ACD/IUPAC Name]
(1R,4S)-1,7,7-Triméthyl(3,3-2H2)bicyclo[2.2.1]heptan-2-one [French] [ACD/IUPAC Name]
Bicyclo[2.2.1]heptan-2-one-3,3-d2, 1,7,7-trimethyl-, (1R,4S)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 207.4±0.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.4±3.0 kJ/mol
Flash Point: 69.3±10.7 °C
Index of Refraction: 1.485
Molar Refractivity: 44.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.13
ACD/LogD (pH 5.5): 2.49
ACD/BCF (pH 5.5): 45.94
ACD/KOC (pH 5.5): 538.80
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 45.94
ACD/KOC (pH 7.4): 538.80
Polar Surface Area: 17 Å2
Polarizability: 17.6±0.5 10-24cm3
Surface Tension: 31.6±3.0 dyne/cm
Molar Volume: 154.9±3.0 cm3

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