ChemSpider 2D Image | 4-Methylene-1-(trimethylsilyl)-1-octyn-3-yl (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate | C22H29F3O3Si

4-Methylene-1-(trimethylsilyl)-1-octyn-3-yl (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate

  • Molecular FormulaC22H29F3O3Si
  • Average mass426.545 Da
  • Monoisotopic mass426.183807 Da
  • ChemSpider ID30992569

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2S)-3,3,3-Trifluoro-2-méthoxy-2-phénylpropanoate de 4-méthylène-1-(triméthylsilyl)-1-octyn-3-yle [French] [ACD/IUPAC Name]
4-Methylen-1-(trimethylsilyl)-1-octin-3-yl-(2S)-3,3,3-trifluor-2-methoxyhydratropaat [German] [ACD/IUPAC Name]
4-Methylene-1-(trimethylsilyl)-1-octyn-3-yl (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate [ACD/IUPAC Name]
Benzeneacetic acid, α-methoxy-α-(trifluoromethyl)-, 2-methylene-1-[2-(trimethylsilyl)ethynyl]hexyl ester, (αS)- [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: 455.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.5±3.0 kJ/mol
Flash Point: 229.0±28.7 °C
Index of Refraction: 1.472
Molar Refractivity: 110.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 10.09
ACD/LogD (pH 5.5): 10.09
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 7343432.00
ACD/LogD (pH 7.4): 10.09
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 7343432.00
Polar Surface Area: 36 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 29.6±3.0 dyne/cm
Molar Volume: 394.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement