ChemSpider 2D Image | Methyl 4-bromo-3-[(3R)-3-(methoxymethyl)-6,7-dimethyl-2-oxo-3-{[2-(trimethylsilyl)ethoxy]carbonyl}-6-octen-1-yl]benzoate | C26H39BrO6Si

Methyl 4-bromo-3-[(3R)-3-(methoxymethyl)-6,7-dimethyl-2-oxo-3-{[2-(trimethylsilyl)ethoxy]carbonyl}-6-octen-1-yl]benzoate

  • Molecular FormulaC26H39BrO6Si
  • Average mass555.574 Da
  • Monoisotopic mass554.169922 Da
  • ChemSpider ID9367229

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-Bromo-3-[(3R)-3-(méthoxyméthyl)-6,7-diméthyl-2-oxo-3-{[2-(triméthylsilyl)éthoxy]carbonyl}-6-octén-1-yl]benzoate de méthyle [French] [ACD/IUPAC Name]
Benzenebutanoic acid, 2-bromo-α-(3,4-dimethyl-3-penten-1-yl)-5-(methoxycarbonyl)-α-(methoxymethyl)-β-oxo-, 2-(trimethylsilyl)ethyl ester, (αR)- [ACD/Index Name]
Methyl 4-bromo-3-[(3R)-3-(methoxymethyl)-6,7-dimethyl-2-oxo-3-{[2-(trimethylsilyl)ethoxy]carbonyl}-6-octen-1-yl]benzoate [ACD/IUPAC Name]
Methyl-4-brom-3-[(3R)-3-(methoxymethyl)-6,7-dimethyl-2-oxo-3-{[2-(trimethylsilyl)ethoxy]carbonyl}-6-octen-1-yl]benzoat [German] [ACD/IUPAC Name]
840524-76-7 [RN]
methyl 4-bromo-3-[(3R)-3-(3,4-dimethylpent-3-en-1-yl)-3-(methoxymethyl)-2,4-dioxo-4-[2-(trimethylsilyl)ethoxy]butyl]benzoate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 581.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.0±3.0 kJ/mol
Flash Point: 305.7±30.1 °C
Index of Refraction: 1.505
Molar Refractivity: 141.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 8.79
ACD/LogD (pH 5.5): 7.94
ACD/BCF (pH 5.5): 638668.44
ACD/KOC (pH 5.5): 497721.81
ACD/LogD (pH 7.4): 7.94
ACD/BCF (pH 7.4): 638668.44
ACD/KOC (pH 7.4): 497721.81
Polar Surface Area: 79 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 35.0±3.0 dyne/cm
Molar Volume: 476.4±3.0 cm3

Click to predict properties on the Chemicalize site


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