ChemSpider 2D Image | (2,8-Dimethyl-1,2,4,5,6,7,8,8a-octahydroazulene-2,4,5-triyl)trimethanol | C15H26O3

(2,8-Dimethyl-1,2,4,5,6,7,8,8a-octahydroazulene-2,4,5-triyl)trimethanol

  • Molecular FormulaC15H26O3
  • Average mass254.365 Da
  • Monoisotopic mass254.188202 Da
  • ChemSpider ID25039050

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2,8-Dimethyl-1,2,4,5,6,7,8,8a-octahydroazulen-2,4,5-triyl)trimethanol [German] [ACD/IUPAC Name]
(2,8-Dimethyl-1,2,4,5,6,7,8,8a-octahydroazulene-2,4,5-triyl)trimethanol [ACD/IUPAC Name]
(2,8-Diméthyl-1,2,4,5,6,7,8,8a-octahydroazulène-2,4,5-triyl)triméthanol [French] [ACD/IUPAC Name]
2,4,5-Azulenetrimethanol, 1,2,4,5,6,7,8,8a-octahydro-2,8-dimethyl- [ACD/Index Name]
(-)-(2S,3S,6S,7S,9S)-tremul-1(10)-ene-11,12,15-triol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 411.2±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 76.7±6.0 kJ/mol
Flash Point: 191.8±17.8 °C
Index of Refraction: 1.544
Molar Refractivity: 71.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.39
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 20.40
ACD/KOC (pH 5.5): 301.36
ACD/LogD (pH 7.4): 2.03
ACD/BCF (pH 7.4): 20.40
ACD/KOC (pH 7.4): 301.36
Polar Surface Area: 61 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 47.2±5.0 dyne/cm
Molar Volume: 227.0±5.0 cm3

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