ChemSpider 2D Image | (4S,5R,8S,8aS)-5-(Hydroxymethyl)-2,2,4,8-tetramethyl-1,2,4,5,6,7,8,8a-octahydro-4-azulenol | C15H26O2

(4S,5R,8S,8aS)-5-(Hydroxymethyl)-2,2,4,8-tetramethyl-1,2,4,5,6,7,8,8a-octahydro-4-azulenol

  • Molecular FormulaC15H26O2
  • Average mass238.366 Da
  • Monoisotopic mass238.193283 Da
  • ChemSpider ID78438236

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4S,5R,8S,8aS)-5-(Hydroxymethyl)-2,2,4,8-tetramethyl-1,2,4,5,6,7,8,8a-octahydro-4-azulenol [German] [ACD/IUPAC Name]
(4S,5R,8S,8aS)-5-(Hydroxymethyl)-2,2,4,8-tetramethyl-1,2,4,5,6,7,8,8a-octahydro-4-azulenol [ACD/IUPAC Name]
(4S,5R,8S,8aS)-5-(Hydroxyméthyl)-2,2,4,8-tétraméthyl-1,2,4,5,6,7,8,8a-octahydro-4-azulénol [French] [ACD/IUPAC Name]
5-Azulenemethanol, 1,2,4,5,6,7,8,8a-octahydro-4-hydroxy-2,2,4,8-tetramethyl-, (4S,5R,8S,8aS)- [ACD/Index Name]
(+)-(2S,3R,6S,7S)-tremul-1(10)-ene-2,12-diol

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

Density: 1.0±0.1 g/cm3
Boiling Point: 345.8±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 68.3±6.0 kJ/mol
Flash Point: 155.4±15.5 °C
Index of Refraction: 1.524
Molar Refractivity: 70.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.60
ACD/LogD (pH 5.5): 3.49
ACD/BCF (pH 5.5): 263.09
ACD/KOC (pH 5.5): 1878.95
ACD/LogD (pH 7.4): 3.49
ACD/BCF (pH 7.4): 263.09
ACD/KOC (pH 7.4): 1878.95
Polar Surface Area: 40 Å2
Polarizability: 27.8±0.5 10-24cm3
Surface Tension: 39.9±5.0 dyne/cm
Molar Volume: 229.3±5.0 cm3

Click to predict properties on the Chemicalize site


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