ChemSpider 2D Image | [(2S,5S,8S,8aS)-2,4,8-Trimethyl-1,2,3,5,6,7,8,8a-octahydroazulene-2,5-diyl]dimethanol | C15H26O2

[(2S,5S,8S,8aS)-2,4,8-Trimethyl-1,2,3,5,6,7,8,8a-octahydroazulene-2,5-diyl]dimethanol

  • Molecular FormulaC15H26O2
  • Average mass238.366 Da
  • Monoisotopic mass238.193283 Da
  • ChemSpider ID78442339

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[(2S,5S,8S,8aS)-2,4,8-Trimethyl-1,2,3,5,6,7,8,8a-octahydroazulen-2,5-diyl]dimethanol [German] [ACD/IUPAC Name]
[(2S,5S,8S,8aS)-2,4,8-Trimethyl-1,2,3,5,6,7,8,8a-octahydroazulene-2,5-diyl]dimethanol [ACD/IUPAC Name]
[(2S,5S,8S,8aS)-2,4,8-Triméthyl-1,2,3,5,6,7,8,8a-octahydroazulène-2,5-diyl]diméthanol [French] [ACD/IUPAC Name]
2,5-Azulenedimethanol, 1,2,3,5,6,7,8,8a-octahydro-2,4,8-trimethyl-, (2S,5S,8S,8aS)- [ACD/Index Name]
12,15-dihydroxytremulene

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

Density: 1.0±0.1 g/cm3
Boiling Point: 354.1±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 69.4±6.0 kJ/mol
Flash Point: 160.4±15.5 °C
Index of Refraction: 1.523
Molar Refractivity: 69.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.27
ACD/LogD (pH 5.5): 3.49
ACD/BCF (pH 5.5): 262.95
ACD/KOC (pH 5.5): 1878.25
ACD/LogD (pH 7.4): 3.49
ACD/BCF (pH 7.4): 262.95
ACD/KOC (pH 7.4): 1878.25
Polar Surface Area: 40 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 40.3±5.0 dyne/cm
Molar Volume: 228.7±5.0 cm3

Click to predict properties on the Chemicalize site


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