ChemSpider 2D Image | (3aR,4R,7S)-7,8-Bis(hydroxymethyl)-2,2,4-trimethyl-1,2,3,3a,4,5,6,7-octahydro-4-azulenol | C15H26O3

(3aR,4R,7S)-7,8-Bis(hydroxymethyl)-2,2,4-trimethyl-1,2,3,3a,4,5,6,7-octahydro-4-azulenol

  • Molecular FormulaC15H26O3
  • Average mass254.365 Da
  • Monoisotopic mass254.188202 Da
  • ChemSpider ID78438313

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3aR,4R,7S)-7,8-Bis(hydroxymethyl)-2,2,4-trimethyl-1,2,3,3a,4,5,6,7-octahydro-4-azulenol [German] [ACD/IUPAC Name]
(3aR,4R,7S)-7,8-Bis(hydroxymethyl)-2,2,4-trimethyl-1,2,3,3a,4,5,6,7-octahydro-4-azulenol [ACD/IUPAC Name]
(3aR,4R,7S)-7,8-Bis(hydroxyméthyl)-2,2,4-triméthyl-1,2,3,3a,4,5,6,7-octahydro-4-azulénol [French] [ACD/IUPAC Name]
4,5-Azulenedimethanol, 1,2,3,5,6,7,8,8a-octahydro-8-hydroxy-2,2,8-trimethyl-, (5S,8R,8aR)- [ACD/Index Name]
Tremulene-6,11,12-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: 408.1±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 76.3±6.0 kJ/mol
Flash Point: 190.0±17.8 °C
Index of Refraction: 1.545
Molar Refractivity: 71.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.25
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 50.13
ACD/KOC (pH 5.5): 573.55
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 50.13
ACD/KOC (pH 7.4): 573.55
Polar Surface Area: 61 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 46.9±5.0 dyne/cm
Molar Volume: 226.0±5.0 cm3

Click to predict properties on the Chemicalize site


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