ChemSpider 2D Image | (3aS,3bR,6aS,7S,7aR)-3a,7-Dihydroxy-3,5,5,7a-tetramethyl-3a,3b,4,5,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalen-1-one | C15H22O3

(3aS,3bR,6aS,7S,7aR)-3a,7-Dihydroxy-3,5,5,7a-tetramethyl-3a,3b,4,5,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalen-1-one

  • Molecular FormulaC15H22O3
  • Average mass250.333 Da
  • Monoisotopic mass250.156891 Da
  • ChemSpider ID78442270

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3aS,3bR,6aS,7S,7aR)-3a,7-Dihydroxy-3,5,5,7a-tetramethyl-3a,3b,4,5,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalen-1-on [German] [ACD/IUPAC Name]
(3aS,3bR,6aS,7S,7aR)-3a,7-Dihydroxy-3,5,5,7a-tetramethyl-3a,3b,4,5,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalen-1-one [ACD/IUPAC Name]
(3aS,3bR,6aS,7S,7aR)-3a,7-Dihydroxy-3,5,5,7a-tétraméthyl-3a,3b,4,5,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalén-1-one [French] [ACD/IUPAC Name]
1H-Cyclopenta[a]pentalen-1-one, 3a,3b,4,5,6,6a,7,7a-octahydro-3a,7-dihydroxy-3,5,5,7a-tetramethyl-, (3aS,3bR,6aS,7S,7aR)- [ACD/Index Name]
Antrodin A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 389.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 73.8±6.0 kJ/mol
Flash Point: 203.4±24.4 °C
Index of Refraction: 1.574
Molar Refractivity: 68.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.45
ACD/LogD (pH 5.5): 1.77
ACD/BCF (pH 5.5): 13.12
ACD/KOC (pH 5.5): 219.68
ACD/LogD (pH 7.4): 1.77
ACD/BCF (pH 7.4): 13.12
ACD/KOC (pH 7.4): 219.68
Polar Surface Area: 58 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 49.3±3.0 dyne/cm
Molar Volume: 206.9±3.0 cm3

Click to predict properties on the Chemicalize site


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