ChemSpider 2D Image | 2-[(1R,3aS,8aR)-6-(Hydroxymethyl)-3a-methyl-1,2,3,3a,4,5,8,8a-octahydro-1-azulenyl]-2-propanol | C15H26O2

2-[(1R,3aS,8aR)-6-(Hydroxymethyl)-3a-methyl-1,2,3,3a,4,5,8,8a-octahydro-1-azulenyl]-2-propanol

  • Molecular FormulaC15H26O2
  • Average mass238.366 Da
  • Monoisotopic mass238.193283 Da
  • ChemSpider ID24613942
  • defined stereocentres - 3 of 3 defined stereocentres


More details:



Featured data source



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

1,6-Azulenedimethanol, 1,2,3,3a,4,5,8,8a-octahydro-α11,3a-trimethyl-, (1R,3aS,8aR)- [ACD/Index Name]
2-[(1R,3aS,8aR)-6-(Hydroxymethyl)-3a-methyl-1,2,3,3a,4,5,8,8a-octahydro-1-azulenyl]-2-propanol [German] [ACD/IUPAC Name]
2-[(1R,3aS,8aR)-6-(Hydroxymethyl)-3a-methyl-1,2,3,3a,4,5,8,8a-octahydro-1-azulenyl]-2-propanol [ACD/IUPAC Name]
2-[(1R,3aS,8aR)-6-(Hydroxyméthyl)-3a-méthyl-1,2,3,3a,4,5,8,8a-octahydro-1-azulényl]-2-propanol [French] [ACD/IUPAC Name]
2-[(1R,3aS,8aR)-6-(hydroxymethyl)-3a-methyl-1,2,3,3a,4,5,8,8a-octahydroazulen-1-yl]propan-2-ol
  • Miscellaneous
    • Chemical Class:

      A sesquiterpenoid isolated from <ital>Schisandra wilsoniana</ital> and has been shown to exhibit anti-HBV activity. ChEBI CHEBI:66432

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 355.2±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 69.5±6.0 kJ/mol
Flash Point: 161.0±15.0 °C
Index of Refraction: 1.517
Molar Refractivity: 69.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.54
ACD/LogD (pH 5.5): 3.46
ACD/BCF (pH 5.5): 250.88
ACD/KOC (pH 5.5): 1816.13
ACD/LogD (pH 7.4): 3.46
ACD/BCF (pH 7.4): 250.88
ACD/KOC (pH 7.4): 1816.13
Polar Surface Area: 40 Å2
Polarizability: 27.6±0.5 10-24cm3
Surface Tension: 39.8±3.0 dyne/cm
Molar Volume: 230.3±3.0 cm3

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