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

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

  • Molecular FormulaC15H26O3
  • Average mass254.365 Da
  • Monoisotopic mass254.188202 Da
  • ChemSpider ID78437425

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(4S,5S,6S,8S,8aS)-4,5-Bis(hydroxymethyl)-2,2,8-trimethyl-1,2,4,5,6,7,8,8a-octahydro-6-azulenol [German] [ACD/IUPAC Name]
(4S,5S,6S,8S,8aS)-4,5-Bis(hydroxymethyl)-2,2,8-trimethyl-1,2,4,5,6,7,8,8a-octahydro-6-azulenol [ACD/IUPAC Name]
(4S,5S,6S,8S,8aS)-4,5-Bis(hydroxyméthyl)-2,2,8-triméthyl-1,2,4,5,6,7,8,8a-octahydro-6-azulénol [French] [ACD/IUPAC Name]
4,5-Azulenedimethanol, 1,2,4,5,6,7,8,8a-octahydro-6-hydroxy-2,2,8-trimethyl-, (4S,5S,6S,8S,8aS)- [ACD/Index Name]
(-)-(2S,3S,4S,6S,7S)-tremul-1(10)-ene-4,11,12-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: 401.1±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 75.4±6.0 kJ/mol
Flash Point: 186.1±19.2 °C
Index of Refraction: 1.542
Molar Refractivity: 71.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.98
ACD/LogD (pH 5.5): 2.25
ACD/BCF (pH 5.5): 30.23
ACD/KOC (pH 5.5): 399.36
ACD/LogD (pH 7.4): 2.25
ACD/BCF (pH 7.4): 30.23
ACD/KOC (pH 7.4): 399.36
Polar Surface Area: 61 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 46.1±5.0 dyne/cm
Molar Volume: 227.6±5.0 cm3

Click to predict properties on the Chemicalize site


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