ChemSpider 2D Image | 8-[(4-Chlorophenyl)(hydroxy)methyl]-6a-hydroxy-6,9a-dimethyl-3-methylene-3,3a,4,5,6,6a,9a,9b-octahydroazuleno[4,5-b]furan-2,9-dione | C22H23ClO5

8-[(4-Chlorophenyl)(hydroxy)methyl]-6a-hydroxy-6,9a-dimethyl-3-methylene-3,3a,4,5,6,6a,9a,9b-octahydroazuleno[4,5-b]furan-2,9-dione

  • Molecular FormulaC22H23ClO5
  • Average mass402.868 Da
  • Monoisotopic mass402.123413 Da
  • ChemSpider ID24616914

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

8-[(4-Chlorophenyl)(hydroxy)methyl]-6a-hydroxy-6,9a-dimethyl-3-methylene-3,3a,4,5,6,6a,9a,9b-octahydroazuleno[4,5-b]furan-2,9-dione [ACD/IUPAC Name]
8-[(4-Chlorophényl)(hydroxy)méthyl]-6a-hydroxy-6,9a-diméthyl-3-méthylène-3,3a,4,5,6,6a,9a,9b-octahydroazuléno[4,5-b]furane-2,9-dione [French] [ACD/IUPAC Name]
8-[(4-Chlorphenyl)(hydroxy)methyl]-6a-hydroxy-6,9a-dimethyl-3-methylen-3,3a,4,5,6,6a,9a,9b-octahydroazuleno[4,5-b]furan-2,9-dion [German] [ACD/IUPAC Name]
Azuleno[4,5-b]furan-2,9-dione, 8-[(4-chlorophenyl)hydroxymethyl]-3,3a,4,5,6,6a,9a,9b-octahydro-6a-hydroxy-6,9a-dimethyl-3-methylene- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 637.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.0±3.0 kJ/mol
Flash Point: 339.4±31.5 °C
Index of Refraction: 1.628
Molar Refractivity: 103.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.35
ACD/LogD (pH 5.5): 3.03
ACD/BCF (pH 5.5): 117.13
ACD/KOC (pH 5.5): 1052.84
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 117.13
ACD/KOC (pH 7.4): 1052.83
Polar Surface Area: 84 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 59.4±5.0 dyne/cm
Molar Volume: 292.4±5.0 cm3

Click to predict properties on the Chemicalize site


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