ChemSpider 2D Image | [{(1R,2R,3S,3aR,4R,5R,7aR)-5-[(Benzyloxy)methyl]-6-bromo-2-methyl-4-vinyl-2,3,3a,4,5,7a-hexahydro-1H-indene-1,3-diyl}bis(oxy)]bis[dimethyl(2-methyl-2-propanyl)silane] | C32H53BrO3Si2

[{(1R,2R,3S,3aR,4R,5R,7aR)-5-[(Benzyloxy)methyl]-6-bromo-2-methyl-4-vinyl-2,3,3a,4,5,7a-hexahydro-1H-indene-1,3-diyl}bis(oxy)]bis[dimethyl(2-methyl-2-propanyl)silane]

  • Molecular FormulaC32H53BrO3Si2
  • Average mass621.836 Da
  • Monoisotopic mass620.271667 Da
  • ChemSpider ID30659051

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

[{(1R,2R,3S,3aR,4R,5R,7aR)-5-[(Benzyloxy)methyl]-6-brom-2-methyl-4-vinyl-2,3,3a,4,5,7a-hexahydro-1H-inden-1,3-diyl}bis(oxy)]bis[dimethyl(2-methyl-2-propanyl)silan] [German] [ACD/IUPAC Name]
[{(1R,2R,3S,3aR,4R,5R,7aR)-5-[(Benzyloxy)methyl]-6-bromo-2-methyl-4-vinyl-2,3,3a,4,5,7a-hexahydro-1H-indene-1,3-diyl}bis(oxy)]bis[dimethyl(2-methyl-2-propanyl)silane] [ACD/IUPAC Name]
[{(1R,2R,3S,3aR,4R,5R,7aR)-5-[(Benzyloxy)méthyl]-6-bromo-2-méthyl-4-vinyl-2,3,3a,4,5,7a-hexahydro-1H-indène-1,3-diyl}bis(oxy)]bis[diméthyl(2-méthyl-2-propanyl)silane] [French] [ACD/IUPAC Name]
1H-Indene, 6-bromo-1,3-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-4-ethenyl-2,3,3a,4,5,7a-hexahydro-2-methyl-5-[(phenylmethoxy)methyl]-, (1R,2R,3S,3aR,4R,5R,7aR)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 553.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.4±3.0 kJ/mol
Flash Point: 288.8±30.1 °C
Index of Refraction: 1.517
Molar Refractivity: 172.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 10.68
ACD/LogD (pH 5.5): 10.00
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 6587560.50
ACD/LogD (pH 7.4): 10.00
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 6587560.50
Polar Surface Area: 28 Å2
Polarizability: 68.5±0.5 10-24cm3
Surface Tension: 33.3±5.0 dyne/cm
Molar Volume: 571.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement