ChemSpider 2D Image | (1S,3aR,4R,7S)-7-(Hydroxymethyl)-2,2,4,8-tetramethyl-1,2,3,3a,4,5,6,7-octahydro-1,4-azulenediol | C15H26O3

(1S,3aR,4R,7S)-7-(Hydroxymethyl)-2,2,4,8-tetramethyl-1,2,3,3a,4,5,6,7-octahydro-1,4-azulenediol

  • Molecular FormulaC15H26O3
  • Average mass254.365 Da
  • Monoisotopic mass254.188202 Da
  • ChemSpider ID78436588

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,3aR,4R,7S)-7-(Hydroxymethyl)-2,2,4,8-tetramethyl-1,2,3,3a,4,5,6,7-octahydro-1,4-azulendiol [German] [ACD/IUPAC Name]
(1S,3aR,4R,7S)-7-(Hydroxymethyl)-2,2,4,8-tetramethyl-1,2,3,3a,4,5,6,7-octahydro-1,4-azulenediol [ACD/IUPAC Name]
(1S,3aR,4R,7S)-7-(Hydroxyméthyl)-2,2,4,8-tétraméthyl-1,2,3,3a,4,5,6,7-octahydro-1,4-azulènediol [French] [ACD/IUPAC Name]
1,4-Azulenediol, 1,2,3,3a,4,5,6,7-octahydro-7-(hydroxymethyl)-2,2,4,8-tetramethyl-, (1S,3aR,4R,7S)- [ACD/Index Name]
(+)-(3S,6R,7R,10S)-tremul-1-ene-6,10,12-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: 399.6±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 75.2±6.0 kJ/mol
Flash Point: 185.2±19.7 °C
Index of Refraction: 1.543
Molar Refractivity: 71.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.66
ACD/LogD (pH 5.5): 2.18
ACD/BCF (pH 5.5): 26.59
ACD/KOC (pH 5.5): 364.33
ACD/LogD (pH 7.4): 2.18
ACD/BCF (pH 7.4): 26.59
ACD/KOC (pH 7.4): 364.33
Polar Surface Area: 61 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 45.8±5.0 dyne/cm
Molar Volume: 226.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement