ChemSpider 2D Image | MFCD10568386 | C22H36O2Si

MFCD10568386

  • Molecular FormulaC22H36O2Si
  • Average mass360.605 Da
  • Monoisotopic mass360.248444 Da
  • ChemSpider ID22899357

  • 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 (2R)-3-PHENYL-2-(TRIMETHYLSILYL)PROPANOATE
(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl 3-phenyl-2-(trimethylsilyl)propanoate [ACD/IUPAC Name]
(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl-3-phenyl-2-(trimethylsilyl)propanoat [German] [ACD/IUPAC Name]
3-Phényl-2-(triméthylsilyl)propanoate de (1R,2S,5R)-2-isopropyl-5-méthylcyclohexyle [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α-(trimethylsilyl)-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester [ACD/Index Name]
MFCD10568386

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 413.7±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.7±3.0 kJ/mol
Flash Point: 175.0±14.7 °C
Index of Refraction: 1.495
Molar Refractivity: 109.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.55
ACD/LogD (pH 5.5): 7.24
ACD/BCF (pH 5.5): 186383.59
ACD/KOC (pH 5.5): 206126.64
ACD/LogD (pH 7.4): 7.24
ACD/BCF (pH 7.4): 186383.59
ACD/KOC (pH 7.4): 206126.64
Polar Surface Area: 26 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 32.0±5.0 dyne/cm
Molar Volume: 374.6±5.0 cm3

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