ChemSpider 2D Image | 2-[(3S,3aS,5S)-3,8-Dimethyl-1,2,3,3a,4,5,6,7-octahydro-5-azulenyl]-2-propanol | C15H26O

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

  • Molecular FormulaC15H26O
  • Average mass222.366 Da
  • Monoisotopic mass222.198364 Da
  • ChemSpider ID62385873

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-[(3S,3aS,5S)-3,8-Dimethyl-1,2,3,3a,4,5,6,7-octahydro-5-azulenyl]-2-propanol [German] [ACD/IUPAC Name]
2-[(3S,3aS,5S)-3,8-Dimethyl-1,2,3,3a,4,5,6,7-octahydro-5-azulenyl]-2-propanol [ACD/IUPAC Name]
2-[(3S,3aS,5S)-3,8-Diméthyl-1,2,3,3a,4,5,6,7-octahydro-5-azulényl]-2-propanol [French] [ACD/IUPAC Name]
5-Azulenemethanol, 1,2,3,3a,4,5,6,7-octahydro-α,α,3,8-tetramethyl-, (3S,3aS,5S)- [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: 313.6±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 64.3±6.0 kJ/mol
Flash Point: 115.4±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: 4.73
ACD/LogD (pH 5.5): 4.64
ACD/BCF (pH 5.5): 1964.35
ACD/KOC (pH 5.5): 7922.88
ACD/LogD (pH 7.4): 4.64
ACD/BCF (pH 7.4): 1964.35
ACD/KOC (pH 7.4): 7922.88
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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