ChemSpider 2D Image | 3-Allyl-5,7-dihydroxy-8,8-dimethylbicyclo[3.3.1]non-3-ene-2,9-dione | C14H18O4

3-Allyl-5,7-dihydroxy-8,8-dimethylbicyclo[3.3.1]non-3-ene-2,9-dione

  • Molecular FormulaC14H18O4
  • Average mass250.290 Da
  • Monoisotopic mass250.120514 Da
  • ChemSpider ID24622190
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

3-Allyl-5,7-dihydroxy-8,8-dimethylbicyclo[3.3.1]non-3-en-2,9-dion [German] [ACD/IUPAC Name]
3-Allyl-5,7-dihydroxy-8,8-dimethylbicyclo[3.3.1]non-3-ene-2,9-dione [ACD/IUPAC Name]
3-Allyl-5,7-dihydroxy-8,8-diméthylbicyclo[3.3.1]non-3-ène-2,9-dione [French] [ACD/IUPAC Name]
Bicyclo[3.3.1]non-3-ene-2,9-dione, 5,7-dihydroxy-8,8-dimethyl-3-(2-propen-1-yl)- [ACD/Index Name]
ILLIOLIGANONE A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 434.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 79.7±6.0 kJ/mol
Flash Point: 230.5±25.2 °C
Index of Refraction: 1.564
Molar Refractivity: 65.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.39
ACD/LogD (pH 5.5): 1.13
ACD/BCF (pH 5.5): 4.24
ACD/KOC (pH 5.5): 97.88
ACD/LogD (pH 7.4): 1.09
ACD/BCF (pH 7.4): 3.88
ACD/KOC (pH 7.4): 89.58
Polar Surface Area: 75 Å2
Polarizability: 26.0±0.5 10-24cm3
Surface Tension: 50.9±3.0 dyne/cm
Molar Volume: 201.3±3.0 cm3

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