ChemSpider 2D Image | (1R,4E,6S,11R,13R)-1,6,13-Trihydroxy-4,15,15-trimethyl-8-methylenebicyclo[9.3.1]pentadec-4-ene-2,14-dione | C19H28O5

(1R,4E,6S,11R,13R)-1,6,13-Trihydroxy-4,15,15-trimethyl-8-methylenebicyclo[9.3.1]pentadec-4-ene-2,14-dione

  • Molecular FormulaC19H28O5
  • Average mass336.423 Da
  • Monoisotopic mass336.193665 Da
  • ChemSpider ID40256582

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,4E,6S,11R,13R)-1,6,13-Trihydroxy-4,15,15-trimethyl-8-methylenbicyclo[9.3.1]pentadec-4-en-2,14-dion [German] [ACD/IUPAC Name]
(1R,4E,6S,11R,13R)-1,6,13-Trihydroxy-4,15,15-trimethyl-8-methylenebicyclo[9.3.1]pentadec-4-ene-2,14-dione [ACD/IUPAC Name]
(1R,4E,6S,11R,13R)-1,6,13-Trihydroxy-4,15,15-triméthyl-8-méthylènebicyclo[9.3.1]pentadéc-4-ène-2,14-dione [French] [ACD/IUPAC Name]
Bicyclo[9.3.1]pentadec-4-ene-2,14-dione, 1,6,13-trihydroxy-4,15,15-trimethyl-8-methylene-, (1R,4E,6S,11R,13R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 541.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.2±6.0 kJ/mol
Flash Point: 295.5±26.6 °C
Index of Refraction: 1.554
Molar Refractivity: 89.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.84
ACD/LogD (pH 5.5): 1.96
ACD/BCF (pH 5.5): 18.30
ACD/KOC (pH 5.5): 278.79
ACD/LogD (pH 7.4): 1.96
ACD/BCF (pH 7.4): 18.28
ACD/KOC (pH 7.4): 278.47
Polar Surface Area: 95 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 50.7±5.0 dyne/cm
Molar Volume: 280.7±5.0 cm3

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