ChemSpider 2D Image | 2-(4-Methoxyphenyl)-2-oxo-1-phenylethyl 3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)benzoate | C31H25NO6

2-(4-Methoxyphenyl)-2-oxo-1-phenylethyl 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzoate

  • Molecular FormulaC31H25NO6
  • Average mass507.533 Da
  • Monoisotopic mass507.168182 Da
  • ChemSpider ID21861377

More details:

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

2-(4-Methoxyphenyl)-2-oxo-1-phenylethyl 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzoate [ACD/IUPAC Name]
2-(4-Methoxyphenyl)-2-oxo-1-phenylethyl-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzoat [German] [ACD/IUPAC Name]
3-(3,5-Dioxo-4-azatricyclo[5.2.1.02,6]déc-8-én-4-yl)benzoate de 2-(4-méthoxyphényl)-2-oxo-1-phényléthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl)-, 2-(4-methoxyphenyl)-2-oxo-1-phenylethyl ester [ACD/Index Name]
2-(4-methoxyphenyl)-2-oxo-1-phenylethyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 762.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.1±3.0 kJ/mol
Flash Point: 415.0±32.9 °C
Index of Refraction: 1.646
Molar Refractivity: 138.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.49
ACD/LogD (pH 5.5): 4.67
ACD/BCF (pH 5.5): 2092.13
ACD/KOC (pH 5.5): 8288.45
ACD/LogD (pH 7.4): 4.67
ACD/BCF (pH 7.4): 2092.13
ACD/KOC (pH 7.4): 8288.45
Polar Surface Area: 90 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 57.1±3.0 dyne/cm
Molar Volume: 380.3±3.0 cm3

Click to predict properties on the Chemicalize site


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