ChemSpider 2D Image | (3aR,9S,9aR,9bR)-9-Hydroxy-6,9-dimethyl-3-methylene-3a,4,8,9,9a,9b-hexahydroazuleno[4,5-b]furan-2(3H)-one | C15H18O3

(3aR,9S,9aR,9bR)-9-Hydroxy-6,9-dimethyl-3-methylene-3a,4,8,9,9a,9b-hexahydroazuleno[4,5-b]furan-2(3H)-one

  • Molecular FormulaC15H18O3
  • Average mass246.302 Da
  • Monoisotopic mass246.125595 Da
  • ChemSpider ID30657422

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3aR,9S,9aR,9bR)-9-Hydroxy-6,9-dimethyl-3-methylen-3a,4,8,9,9a,9b-hexahydroazuleno[4,5-b]furan-2(3H)-on [German] [ACD/IUPAC Name]
(3aR,9S,9aR,9bR)-9-Hydroxy-6,9-dimethyl-3-methylene-3a,4,8,9,9a,9b-hexahydroazuleno[4,5-b]furan-2(3H)-one [ACD/IUPAC Name]
(3aR,9S,9aR,9bR)-9-Hydroxy-6,9-diméthyl-3-méthylène-3a,4,8,9,9a,9b-hexahydroazuléno[4,5-b]furan-2(3H)-one [French] [ACD/IUPAC Name]
Azuleno[4,5-b]furan-2(3H)-one, 3a,4,8,9,9a,9b-hexahydro-9-hydroxy-6,9-dimethyl-3-methylene-, (3aR,9S,9aR,9bR)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 456.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.6±6.0 kJ/mol
Flash Point: 198.2±21.5 °C
Index of Refraction: 1.577
Molar Refractivity: 67.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.95
ACD/LogD (pH 5.5): 2.21
ACD/BCF (pH 5.5): 28.09
ACD/KOC (pH 5.5): 378.84
ACD/LogD (pH 7.4): 2.21
ACD/BCF (pH 7.4): 28.09
ACD/KOC (pH 7.4): 378.84
Polar Surface Area: 47 Å2
Polarizability: 26.8±0.5 10-24cm3
Surface Tension: 44.8±5.0 dyne/cm
Molar Volume: 204.1±5.0 cm3

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