ChemSpider 2D Image | deuterio-[(4S)-4-(2,2-dideuterio-1-methyl-vinyl)-1-cyclohexenyl]methanol | C10H13D3O

deuterio-[(4S)-4-(2,2-dideuterio-1-methyl-vinyl)-1-cyclohexenyl]methanol

  • Molecular FormulaC10H13D3O
  • Average mass155.252 Da
  • Monoisotopic mass155.138947 Da
  • ChemSpider ID8948526

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

{(4S)-4-[(1,1-2H2)-1-Propen-2-yl]-1-cyclohexen-1-yl}(2H1)methanol [German] [ACD/IUPAC Name]
{(4S)-4-[(1,1-2H2)-1-Propén-2-yl]-1-cyclohexén-1-yl}(2H1)méthanol [French] [ACD/IUPAC Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 241.2±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 55.6±6.0 kJ/mol
Flash Point: 99.6±17.8 °C
Index of Refraction: 1.491
Molar Refractivity: 46.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.30
ACD/LogD (pH 5.5): 3.11
ACD/BCF (pH 5.5): 137.05
ACD/KOC (pH 5.5): 1178.12
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 137.05
ACD/KOC (pH 7.4): 1178.12
Polar Surface Area: 20 Å2
Polarizability: 18.6±0.5 10-24cm3
Surface Tension: 32.1±3.0 dyne/cm
Molar Volume: 161.8±3.0 cm3

Click to predict properties on the Chemicalize site


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