ChemSpider 2D Image | (1S,2R,3bR,6aS,7S,7aS)-1,5,5,7a-Tetramethyl-2,3b,4,5,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalene-2,7-diol | C15H24O2

(1S,2R,3bR,6aS,7S,7aS)-1,5,5,7a-Tetramethyl-2,3b,4,5,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalene-2,7-diol

  • Molecular FormulaC15H24O2
  • Average mass236.350 Da
  • Monoisotopic mass236.177628 Da
  • ChemSpider ID78442303

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1S,2R,3bR,6aS,7S,7aS)-1,5,5,7a-Tetramethyl-2,3b,4,5,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalen-2,7-diol [German] [ACD/IUPAC Name]
(1S,2R,3bR,6aS,7S,7aS)-1,5,5,7a-Tetramethyl-2,3b,4,5,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalene-2,7-diol [ACD/IUPAC Name]
(1S,2R,3bR,6aS,7S,7aS)-1,5,5,7a-Tétraméthyl-2,3b,4,5,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalène-2,7-diol [French] [ACD/IUPAC Name]
1H-Cyclopenta[a]pentalene-2,7-diol, 2,3b,4,5,6,6a,7,7a-octahydro-1,5,5,7a-tetramethyl-, (1S,2R,3bR,6aS,7S,7aS)- [ACD/Index Name]
Antrodin C

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

Density: 1.1±0.1 g/cm3
Boiling Point: 354.2±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 69.4±6.0 kJ/mol
Flash Point: 162.9±19.2 °C
Index of Refraction: 1.556
Molar Refractivity: 68.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.81
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 101.21
ACD/KOC (pH 5.5): 948.30
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 101.21
ACD/KOC (pH 7.4): 948.30
Polar Surface Area: 40 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 43.1±5.0 dyne/cm
Molar Volume: 211.7±5.0 cm3

Click to predict properties on the Chemicalize site


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