ChemSpider 2D Image | (1R,1aS,4S,4aS,5S,7aR,7bR)-1-(Hydroxymethyl)-1,4,7-trimethyldecahydro-1H-cyclopropa[e]azulene-4,5-diol | C15H26O3

(1R,1aS,4S,4aS,5S,7aR,7bR)-1-(Hydroxymethyl)-1,4,7-trimethyldecahydro-1H-cyclopropa[e]azulene-4,5-diol

  • Molecular FormulaC15H26O3
  • Average mass254.365 Da
  • Monoisotopic mass254.188202 Da
  • ChemSpider ID78436974
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

(1R,1aS,4S,4aS,5S,7aR,7bR)-1-(Hydroxymethyl)-1,4,7-trimethyldecahydro-1H-cyclopropa[e]azulen-4,5-diol [German] [ACD/IUPAC Name]
(1R,1aS,4S,4aS,5S,7aR,7bR)-1-(Hydroxymethyl)-1,4,7-trimethyldecahydro-1H-cyclopropa[e]azulene-4,5-diol [ACD/IUPAC Name]
(1R,1aS,4S,4aS,5S,7aR,7bR)-1-(Hydroxyméthyl)-1,4,7-triméthyldécahydro-1H-cyclopropa[e]azulène-4,5-diol [French] [ACD/IUPAC Name]
1H-Cycloprop[e]azulene-4,5-diol, decahydro-1-(hydroxymethyl)-1,4,7-trimethyl-, (1R,1aS,4S,4aS,5S,7aR,7bR)- [ACD/Index Name]
2β,13-dihydroxyledol

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 389.7±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 73.9±6.0 kJ/mol
Flash Point: 181.1±15.5 °C
Index of Refraction: 1.532
Molar Refractivity: 70.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.17
ACD/LogD (pH 5.5): 1.54
ACD/BCF (pH 5.5): 8.74
ACD/KOC (pH 5.5): 164.29
ACD/LogD (pH 7.4): 1.54
ACD/BCF (pH 7.4): 8.74
ACD/KOC (pH 7.4): 164.29
Polar Surface Area: 61 Å2
Polarizability: 27.8±0.5 10-24cm3
Surface Tension: 42.7±3.0 dyne/cm
Molar Volume: 226.6±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement