ChemSpider 2D Image | (1S,2S,3R,7R,8R,10R)-3,10-Dihydroxy-3,6,10,12-tetramethyltricyclo[6.2.2.0~2,7~]dodeca-5,11-diene-4,9-dione | C16H20O4

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

  • Molecular FormulaC16H20O4
  • Average mass276.328 Da
  • Monoisotopic mass276.136169 Da
  • ChemSpider ID30658836

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1S,2S,3R,7R,8R,10R)-3,10-Dihydroxy-3,6,10,12-tetramethyltricyclo[6.2.2.02,7]dodeca-5,11-dien-4,9-dion [German] [ACD/IUPAC Name]
(1S,2S,3R,7R,8R,10R)-3,10-Dihydroxy-3,6,10,12-tetramethyltricyclo[6.2.2.02,7]dodeca-5,11-diene-4,9-dione [ACD/IUPAC Name]
(1S,2S,3R,7R,8R,10R)-3,10-Dihydroxy-3,6,10,12-tétraméthyltricyclo[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-2,5,8,9-tetramethyl-, (1R,4S,4aS,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: 472.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 84.8±6.0 kJ/mol
Flash Point: 253.9±25.2 °C
Index of Refraction: 1.571
Molar Refractivity: 72.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.01
ACD/LogD (pH 5.5): 1.30
ACD/BCF (pH 5.5): 5.69
ACD/KOC (pH 5.5): 120.81
ACD/LogD (pH 7.4): 1.30
ACD/BCF (pH 7.4): 5.69
ACD/KOC (pH 7.4): 120.80
Polar Surface Area: 75 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 46.8±3.0 dyne/cm
Molar Volume: 221.3±3.0 cm3

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