ChemSpider 2D Image | (9aS,9bS)-9b-Hydroxy-7,9a-dimethyl-6-methylene-5,5a,6,7,8,9,9a,9b-octahydronaphtho[1,2-c]furan-3(1H)-one | C15H20O3

(9aS,9bS)-9b-Hydroxy-7,9a-dimethyl-6-methylene-5,5a,6,7,8,9,9a,9b-octahydronaphtho[1,2-c]furan-3(1H)-one

  • Molecular FormulaC15H20O3
  • Average mass248.318 Da
  • Monoisotopic mass248.141251 Da
  • ChemSpider ID20057003
  • defined stereocentres - 2 of 4 defined stereocentres


More details:






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

(9aS,9bS)-9b-Hydroxy-7,9a-dimethyl-6-methylen-5,5a,6,7,8,9,9a,9b-octahydronaphtho[1,2-c]furan-3(1H)-on [German] [ACD/IUPAC Name]
(9aS,9bS)-9b-Hydroxy-7,9a-dimethyl-6-methylene-5,5a,6,7,8,9,9a,9b-octahydronaphtho[1,2-c]furan-3(1H)-one [ACD/IUPAC Name]
(9aS,9bS)-9b-Hydroxy-7,9a-diméthyl-6-méthylène-5,5a,6,7,8,9,9a,9b-octahydronaphto[1,2-c]furan-3(1H)-one [French] [ACD/IUPAC Name]
Naphtho[1,2-c]furan-3(1H)-one, 5,5a,6,7,8,9,9a,9b-octahydro-9b-hydroxy-7,9a-dimethyl-6-methylene-, (9aS,9bS)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 426.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 78.7±6.0 kJ/mol
Flash Point: 182.2±21.5 °C
Index of Refraction: 1.558
Molar Refractivity: 68.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.76
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 66.14
ACD/KOC (pH 5.5): 699.38
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 66.14
ACD/KOC (pH 7.4): 699.37
Polar Surface Area: 47 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 44.0±5.0 dyne/cm
Molar Volume: 210.8±5.0 cm3

Click to predict properties on the Chemicalize site






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