ChemSpider 2D Image | (3aR,4S,7aS)-6-[Benzyl(dimethyl)silyl]-3a-methyl-4-phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione | C24H26O3Si

(3aR,4S,7aS)-6-[Benzyl(dimethyl)silyl]-3a-methyl-4-phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione

  • Molecular FormulaC24H26O3Si
  • Average mass390.547 Da
  • Monoisotopic mass390.165131 Da
  • ChemSpider ID30659314

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3aR,4S,7aS)-6-[Benzyl(dimethyl)silyl]-3a-methyl-4-phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dion [German] [ACD/IUPAC Name]
(3aR,4S,7aS)-6-[Benzyl(dimethyl)silyl]-3a-methyl-4-phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione [ACD/IUPAC Name]
(3aR,4S,7aS)-6-[Benzyl(diméthyl)silyl]-3a-méthyl-4-phényl-3a,4,7,7a-tétrahydro-2-benzofurane-1,3-dione [French] [ACD/IUPAC Name]
1,3-Isobenzofurandione, 6-[dimethyl(phenylmethyl)silyl]-3a,4,7,7a-tetrahydro-3a-methyl-4-phenyl-, (3aR,4S,7aS)- [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: 512.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.4±3.0 kJ/mol
Flash Point: 219.0±25.7 °C
Index of Refraction: 1.584
Molar Refractivity: 113.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.28
ACD/LogD (pH 5.5): 4.82
ACD/BCF (pH 5.5): 2728.06
ACD/KOC (pH 5.5): 10022.60
ACD/LogD (pH 7.4): 4.82
ACD/BCF (pH 7.4): 2728.06
ACD/KOC (pH 7.4): 10022.60
Polar Surface Area: 43 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 42.8±5.0 dyne/cm
Molar Volume: 338.6±5.0 cm3

Click to predict properties on the Chemicalize site


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