ChemSpider 2D Image | 2-[(3R,5S,8S)-3,8-Dimethyl(1,1,2,2,3,4,4-~2~H_7_)-1,2,3,4,5,6,7,8-octahydro-5-azulenyl]-2-propanol | C15H19D7O

2-[(3R,5S,8S)-3,8-Dimethyl(1,1,2,2,3,4,4-2H7)-1,2,3,4,5,6,7,8-octahydro-5-azulenyl]-2-propanol

  • Molecular FormulaC15H19D7O
  • Average mass229.410 Da
  • Monoisotopic mass229.242310 Da
  • ChemSpider ID107446456

  • defined stereocentres - 3 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

2-[(3R,5S,8S)-3,8-Dimethyl(1,1,2,2,3,4,4-2H7)-1,2,3,4,5,6,7,8-octahydro-5-azulenyl]-2-propanol [German] [ACD/IUPAC Name]
2-[(3R,5S,8S)-3,8-Dimethyl(1,1,2,2,3,4,4-2H7)-1,2,3,4,5,6,7,8-octahydro-5-azulenyl]-2-propanol [ACD/IUPAC Name]
2-[(3R,5S,8S)-3,8-Diméthyl(1,1,2,2,3,4,4-2H7)-1,2,3,4,5,6,7,8-octahydro-5-azulényl]-2-propanol [French] [ACD/IUPAC Name]
Azulene-1,2,3,4-d4-5-methanol, 1,2,3,4,5,6,7,8-octahydro-1,2,4-d3-α,α,3,8-tetramethyl-, (3R,5S,8S)- [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: 310.4±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 63.9±6.0 kJ/mol
Flash Point: 113.6±15.6 °C
Index of Refraction: 1.503
Molar Refractivity: 68.3±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.81
ACD/LogD (pH 5.5): 4.56
ACD/BCF (pH 5.5): 1725.42
ACD/KOC (pH 5.5): 7220.50
ACD/LogD (pH 7.4): 4.56
ACD/BCF (pH 7.4): 1725.42
ACD/KOC (pH 7.4): 7220.50
Polar Surface Area: 20 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 34.2±5.0 dyne/cm
Molar Volume: 231.3±5.0 cm3

Click to predict properties on the Chemicalize site


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