ChemSpider 2D Image | (1aS,3aR,7aS)-3a,5,5-Trimethyl-3-methyleneoctahydrocyclopenta[4,5]pentaleno[1,6a-b]oxiren-2(1aH)-one | C15H20O2

(1aS,3aR,7aS)-3a,5,5-Trimethyl-3-methyleneoctahydrocyclopenta[4,5]pentaleno[1,6a-b]oxiren-2(1aH)-one

  • Molecular FormulaC15H20O2
  • Average mass232.318 Da
  • Monoisotopic mass232.146332 Da
  • ChemSpider ID75575093

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(1aS,3aR,7aS)-3a,5,5-Trimethyl-3-methyleneoctahydrocyclopenta[4,5]pentaleno[1,6a-b]oxiren-2(1aH)-one [ACD/IUPAC Name]
(1aS,3aR,7aS)-3a,5,5-Triméthyl-3-méthylèneoctahydrocyclopenta[4,5]pentaléno[1,6a-b]oxirén-2(1aH)-one [French] [ACD/IUPAC Name]
(1aS,3aR,7aS)-3a,5,5-Trimethyl-3-methylenoctahydrocyclopenta[4,5]pentaleno[1,6a-b]oxiren-2(1aH)-on [German] [ACD/IUPAC Name]
Cyclopenta[4,5]pentaleno[1,6a-b]oxiren-2(1aH)-one, octahydro-3a,5,5-trimethyl-3-methylene-, (1aS,3aR,7aS)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 334.1±31.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.7±3.0 kJ/mol
Flash Point: 142.4±18.4 °C
Index of Refraction: 1.552
Molar Refractivity: 64.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.49
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 57.24
ACD/KOC (pH 5.5): 630.62
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 57.24
ACD/KOC (pH 7.4): 630.62
Polar Surface Area: 30 Å2
Polarizability: 25.6±0.5 10-24cm3
Surface Tension: 39.3±5.0 dyne/cm
Molar Volume: 202.4±5.0 cm3

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