ChemSpider 2D Image | (1R,3aS,5aS)-1,5,7,7-Tetramethyl-2,3,5a,6,7,8-hexahydrocyclopenta[c]pentalene-1,3a(1H)-diol | C15H24O2

(1R,3aS,5aS)-1,5,7,7-Tetramethyl-2,3,5a,6,7,8-hexahydrocyclopenta[c]pentalene-1,3a(1H)-diol

  • Molecular FormulaC15H24O2
  • Average mass236.350 Da
  • Monoisotopic mass236.177628 Da
  • ChemSpider ID78442364

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(1R,3aS,5aS)-1,5,7,7-Tetramethyl-2,3,5a,6,7,8-hexahydrocyclopenta[c]pentalen-1,3a(1H)-diol [German] [ACD/IUPAC Name]
(1R,3aS,5aS)-1,5,7,7-Tetramethyl-2,3,5a,6,7,8-hexahydrocyclopenta[c]pentalene-1,3a(1H)-diol [ACD/IUPAC Name]
(1R,3aS,5aS)-1,5,7,7-Tétraméthyl-2,3,5a,6,7,8-hexahydrocyclopenta[c]pentalène-1,3a(1H)-diol [French] [ACD/IUPAC Name]
Cyclopenta[c]pentalene-1,3a(1H)-diol, 2,3,5a,6,7,8-hexahydro-1,5,7,7-tetramethyl-, (1R,3aS,5aS)- [ACD/Index Name]
Antrodin E

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

Density: 1.1±0.1 g/cm3
Boiling Point: 343.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 68.0±6.0 kJ/mol
Flash Point: 156.6±22.5 °C
Index of Refraction: 1.562
Molar Refractivity: 68.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.96
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 100.27
ACD/KOC (pH 5.5): 941.99
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 100.27
ACD/KOC (pH 7.4): 941.99
Polar Surface Area: 40 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 44.7±5.0 dyne/cm
Molar Volume: 210.1±5.0 cm3

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