ChemSpider 2D Image | (1R,2aS,5S,5aR,8S,8aS,8bR)-1,2a,8-Trihydroxy-5,8-dimethyl-2-methylenedecahydro-3(1H)-acenaphthylenone | C15H22O4

(1R,2aS,5S,5aR,8S,8aS,8bR)-1,2a,8-Trihydroxy-5,8-dimethyl-2-methylenedecahydro-3(1H)-acenaphthylenone

  • Molecular FormulaC15H22O4
  • Average mass266.333 Da
  • Monoisotopic mass266.151794 Da
  • ChemSpider ID26394007
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






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

(1R,2aS,5S,5aR,8S,8aS,8bR)-1,2a,8-Trihydroxy-5,8-dimethyl-2-methylendecahydro-3(1H)-acenaphthylenon [German] [ACD/IUPAC Name]
(1R,2aS,5S,5aR,8S,8aS,8bR)-1,2a,8-Trihydroxy-5,8-dimethyl-2-methylenedecahydro-3(1H)-acenaphthylenone [ACD/IUPAC Name]
(1R,2aS,5S,5aR,8S,8aS,8bR)-1,2a,8-Trihydroxy-5,8-diméthyl-2-méthylènedécahydro-3(1H)-acénaphtylénone [French] [ACD/IUPAC Name]
3(1H)-Acenaphthylenone, decahydro-1,2a,8-trihydroxy-5,8-dimethyl-2-methylene-, (1R,2aS,5S,5aR,8S,8aS,8bR)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 451.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.0±6.0 kJ/mol
Flash Point: 241.2±25.2 °C
Index of Refraction: 1.583
Molar Refractivity: 69.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.51
ACD/LogD (pH 5.5): 0.63
ACD/BCF (pH 5.5): 1.78
ACD/KOC (pH 5.5): 52.66
ACD/LogD (pH 7.4): 0.63
ACD/BCF (pH 7.4): 1.78
ACD/KOC (pH 7.4): 52.66
Polar Surface Area: 78 Å2
Polarizability: 27.6±0.5 10-24cm3
Surface Tension: 54.8±5.0 dyne/cm
Molar Volume: 208.1±5.0 cm3

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