ChemSpider 2D Image | 2-[(3S,3aS,5S,8R,8aR)-3,8-Dimethyldecahydro-5-azulenyl]-2-propanol | C15H28O

2-[(3S,3aS,5S,8R,8aR)-3,8-Dimethyldecahydro-5-azulenyl]-2-propanol

  • Molecular FormulaC15H28O
  • Average mass224.382 Da
  • Monoisotopic mass224.214020 Da
  • ChemSpider ID62385872

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-[(3S,3aS,5S,8R,8aR)-3,8-Dimethyldecahydro-5-azulenyl]-2-propanol [German] [ACD/IUPAC Name]
2-[(3S,3aS,5S,8R,8aR)-3,8-Dimethyldecahydro-5-azulenyl]-2-propanol [ACD/IUPAC Name]
2-[(3S,3aS,5S,8R,8aR)-3,8-Diméthyldécahydro-5-azulényl]-2-propanol [French] [ACD/IUPAC Name]
5-Azulenemethanol, decahydro-α,α,3,8-tetramethyl-, (3S,3aS,5S,8R,8aR)- [ACD/Index 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: 301.4±10.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 62.8±6.0 kJ/mol
Flash Point: 138.6±9.1 °C
Index of Refraction: 1.471
Molar Refractivity: 68.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.10
ACD/LogD (pH 5.5): 4.48
ACD/BCF (pH 5.5): 1489.42
ACD/KOC (pH 5.5): 6498.95
ACD/LogD (pH 7.4): 4.48
ACD/BCF (pH 7.4): 1489.42
ACD/KOC (pH 7.4): 6498.95
Polar Surface Area: 20 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 30.0±3.0 dyne/cm
Molar Volume: 245.7±3.0 cm3

Click to predict properties on the Chemicalize site


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