ChemSpider 2D Image | 2-Oxo-2-(3,4,5-trimethoxyphenyl)ethyl 3-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propanoate | C28H38O7

2-Oxo-2-(3,4,5-trimethoxyphenyl)ethyl 3-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propanoate

  • Molecular FormulaC28H38O7
  • Average mass486.597 Da
  • Monoisotopic mass486.261749 Da
  • ChemSpider ID22461403

More details:

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

2-Oxo-2-(3,4,5-trimethoxyphenyl)ethyl 3-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propanoate [ACD/IUPAC Name]
2-Oxo-2-(3,4,5-trimethoxyphenyl)ethyl-3-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propanoat [German] [ACD/IUPAC Name]
3-[4-Hydroxy-3,5-bis(2-méthyl-2-propanyl)phényl]propanoate de 2-oxo-2-(3,4,5-triméthoxyphényl)éthyle [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl ester [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: 558.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.2±3.0 kJ/mol
Flash Point: 173.3±22.2 °C
Index of Refraction: 1.529
Molar Refractivity: 135.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 6.50
ACD/LogD (pH 5.5): 5.97
ACD/BCF (pH 5.5): 20410.63
ACD/KOC (pH 5.5): 42323.51
ACD/LogD (pH 7.4): 5.97
ACD/BCF (pH 7.4): 20410.36
ACD/KOC (pH 7.4): 42322.95
Polar Surface Area: 91 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 38.2±3.0 dyne/cm
Molar Volume: 438.5±3.0 cm3

Click to predict properties on the Chemicalize site


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