ChemSpider 2D Image | (3R,3bS,4R)-3-Hydroxy-2,2,3b,4-tetramethyl-3,3b,4,6,6a,7-hexahydro-1H-cyclopenta[a]pentalene-1,5(2H)-dione | C15H20O3

(3R,3bS,4R)-3-Hydroxy-2,2,3b,4-tetramethyl-3,3b,4,6,6a,7-hexahydro-1H-cyclopenta[a]pentalene-1,5(2H)-dione

  • Molecular FormulaC15H20O3
  • Average mass248.318 Da
  • Monoisotopic mass248.141251 Da
  • ChemSpider ID20057181

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(3R,3bS,4R)-3-Hydroxy-2,2,3b,4-tetramethyl-3,3b,4,6,6a,7-hexahydro-1H-cyclopenta[a]pentalen-1,5(2H)-dion [German] [ACD/IUPAC Name]
(3R,3bS,4R)-3-Hydroxy-2,2,3b,4-tetramethyl-3,3b,4,6,6a,7-hexahydro-1H-cyclopenta[a]pentalene-1,5(2H)-dione [ACD/IUPAC Name]
(3R,3bS,4R)-3-Hydroxy-2,2,3b,4-tétraméthyl-3,3b,4,6,6a,7-hexahydro-1H-cyclopenta[a]pentalène-1,5(2H)-dione [French] [ACD/IUPAC Name]
1H-Cyclopenta[a]pentalene-1,5(2H)-dione, 3,3b,4,6,6a,7-hexahydro-3-hydroxy-2,2,3b,4-tetramethyl-, (3R,3bS,4R)- [ACD/Index Name]
rel-(3R,3bS,4R)-3-hydroxy-2,2,3b,4-tetramethyl-3,3b,4,6,6a,7-hexahydro-1H-cyclopenta[a]pentalene-1,5(2H)-dione

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

Density: 1.2±0.1 g/cm3
Boiling Point: 408.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 76.4±6.0 kJ/mol
Flash Point: 215.2±25.2 °C
Index of Refraction: 1.556
Molar Refractivity: 66.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.68
ACD/LogD (pH 5.5): 1.46
ACD/BCF (pH 5.5): 7.52
ACD/KOC (pH 5.5): 147.54
ACD/LogD (pH 7.4): 1.46
ACD/BCF (pH 7.4): 7.52
ACD/KOC (pH 7.4): 147.54
Polar Surface Area: 54 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 45.1±5.0 dyne/cm
Molar Volume: 206.9±5.0 cm3

Click to predict properties on the Chemicalize site


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