ChemSpider 2D Image | (3E,3aR,8bS)-8a-Hydroxy-8,8-dimethyl-3-({[(2R)-4-methyl-5-oxo-2,5-dihydro-2-furanyl]oxy}methylene)-3,3a,5,6,7,8,8a,8b-octahydro-2H-indeno[1,2-b]furan-2-one | C19H22O6

(3E,3aR,8bS)-8a-Hydroxy-8,8-dimethyl-3-({[(2R)-4-methyl-5-oxo-2,5-dihydro-2-furanyl]oxy}methylene)-3,3a,5,6,7,8,8a,8b-octahydro-2H-indeno[1,2-b]furan-2-one

  • Molecular FormulaC19H22O6
  • Average mass346.374 Da
  • Monoisotopic mass346.141632 Da
  • ChemSpider ID35518526

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(3E,3aR,8bS)-8a-Hydroxy-8,8-dimethyl-3-({[(2R)-4-methyl-5-oxo-2,5-dihydro-2-furanyl]oxy}methylen)-3,3a,5,6,7,8,8a,8b-octahydro-2H-indeno[1,2-b]furan-2-on [German] [ACD/IUPAC Name]
(3E,3aR,8bS)-8a-Hydroxy-8,8-dimethyl-3-({[(2R)-4-methyl-5-oxo-2,5-dihydro-2-furanyl]oxy}methylene)-3,3a,5,6,7,8,8a,8b-octahydro-2H-indeno[1,2-b]furan-2-one [ACD/IUPAC Name]
(3E,3aR,8bS)-8a-Hydroxy-8,8-diméthyl-3-({[(2R)-4-méthyl-5-oxo-2,5-dihydro-2-furanyl]oxy}méthylène)-3,3a,5,6,7,8,8a,8b-octahydro-2H-indéno[1,2-b]furan-2-one [French] [ACD/IUPAC Name]
2H-Indeno[1,2-b]furan-2-one, 3-[[[(2R)-2,5-dihydro-4-methyl-5-oxo-2-furanyl]oxy]methylene]-3,3a,5,6,7,8,8a,8b-octahydro-8a-hydroxy-8,8-dimethyl-, (3E,3aR,8bS)- [ACD/Index Name]
Alectrol

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

Density: 1.3±0.1 g/cm3
Boiling Point: 623.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.9±6.0 kJ/mol
Flash Point: 228.0±25.0 °C
Index of Refraction: 1.597
Molar Refractivity: 87.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.38
ACD/LogD (pH 5.5): 1.40
ACD/BCF (pH 5.5): 6.78
ACD/KOC (pH 5.5): 136.89
ACD/LogD (pH 7.4): 1.40
ACD/BCF (pH 7.4): 6.78
ACD/KOC (pH 7.4): 136.89
Polar Surface Area: 82 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 54.2±5.0 dyne/cm
Molar Volume: 257.9±5.0 cm3

Click to predict properties on the Chemicalize site


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