ChemSpider 2D Image | MFCD09869997 | C21H40O2Si

MFCD09869997

  • Molecular FormulaC21H40O2Si
  • Average mass352.627 Da
  • Monoisotopic mass352.279755 Da
  • ChemSpider ID22899354

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl (2S)-2,5-dimethyl-2-(trimethylsilyl)-4-hexenoate [ACD/IUPAC Name]
(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl-(2S)-2,5-dimethyl-2-(trimethylsilyl)-4-hexenoat [German] [ACD/IUPAC Name]
(2S)-2,5-Diméthyl-2-(triméthylsilyl)-4-hexénoate de (1R,2S,5R)-2-isopropyl-5-méthylcyclohexyle [French] [ACD/IUPAC Name]
4-Hexenoic acid, 2,5-dimethyl-2-(trimethylsilyl)-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester, (2S)- [ACD/Index Name]
MFCD09869997

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

Density: 0.9±0.1 g/cm3
Boiling Point: 379.7±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.8±3.0 kJ/mol
Flash Point: 157.1±13.9 °C
Index of Refraction: 1.464
Molar Refractivity: 107.4±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 8.17
ACD/LogD (pH 5.5): 7.70
ACD/BCF (pH 5.5): 417825.59
ACD/KOC (pH 5.5): 367350.50
ACD/LogD (pH 7.4): 7.70
ACD/BCF (pH 7.4): 417825.59
ACD/KOC (pH 7.4): 367350.50
Polar Surface Area: 26 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 28.4±5.0 dyne/cm
Molar Volume: 389.5±5.0 cm3

Click to predict properties on the Chemicalize site


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