ChemSpider 2D Image | (1S,2R,3R,7R,8R,10R)-3,10-Dihydroxy-6,12-diisopropyl-3,10-dimethyltricyclo[6.2.2.0~2,7~]dodeca-5,11-diene-4,9-dione | C20H28O4

(1S,2R,3R,7R,8R,10R)-3,10-Dihydroxy-6,12-diisopropyl-3,10-dimethyltricyclo[6.2.2.02,7]dodeca-5,11-diene-4,9-dione

  • Molecular FormulaC20H28O4
  • Average mass332.434 Da
  • Monoisotopic mass332.198761 Da
  • ChemSpider ID113611737

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1S,2R,3R,7R,8R,10R)-3,10-Dihydroxy-6,12-diisopropyl-3,10-dimethyltricyclo[6.2.2.02,7]dodeca-5,11-dien-4,9-dion [German] [ACD/IUPAC Name]
(1S,2R,3R,7R,8R,10R)-3,10-Dihydroxy-6,12-diisopropyl-3,10-dimethyltricyclo[6.2.2.02,7]dodeca-5,11-diene-4,9-dione [ACD/IUPAC Name]
(1S,2R,3R,7R,8R,10R)-3,10-Dihydroxy-6,12-diisopropyl-3,10-diméthyltricyclo[6.2.2.02,7]dodéca-5,11-diène-4,9-dione [French] [ACD/IUPAC Name]
1,4-Ethanonaphthalene-6,10(4H)-dione, 1,4a,5,8a-tetrahydro-5,9-dihydroxy-5,9-dimethyl-2,8-bis(1-methylethyl)-, (1R,4S,4aR,5R,8aR,9R)- [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: 499.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.5±6.0 kJ/mol
Flash Point: 270.2±25.2 °C
Index of Refraction: 1.551
Molar Refractivity: 91.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 57.46
ACD/KOC (pH 5.5): 632.36
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 57.46
ACD/KOC (pH 7.4): 632.35
Polar Surface Area: 75 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 285.5±3.0 cm3

Click to predict properties on the Chemicalize site


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