ChemSpider 2D Image | Decyl 4-(3,5-dioxo-8-phenyl-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)benzoate | C32H39NO4

Decyl 4-(3,5-dioxo-8-phenyl-4-azatricyclo[5.2.1.02,6]dec-4-yl)benzoate

  • Molecular FormulaC32H39NO4
  • Average mass501.656 Da
  • Monoisotopic mass501.287903 Da
  • ChemSpider ID3062335

More details:

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

4-(3,5-Dioxo-8-phényl-4-azatricyclo[5.2.1.02,6]déc-4-yl)benzoate de décyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-(octahydro-1,3-dioxo-5-phenyl-4,7-methano-2H-isoindol-2-yl)-, decyl ester [ACD/Index Name]
Decyl 4-(3,5-dioxo-8-phenyl-4-azatricyclo[5.2.1.02,6]dec-4-yl)benzoate [ACD/IUPAC Name]
Decyl-4-(3,5-dioxo-8-phenyl-4-azatricyclo[5.2.1.02,6]dec-4-yl)benzoat [German] [ACD/IUPAC Name]
decyl 4-(1,3-dioxo-5-phenyloctahydro-2H-4,7-methanoisoindol-2-yl)benzoate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 684.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.4±3.0 kJ/mol
Flash Point: 367.7±31.5 °C
Index of Refraction: 1.570
Molar Refractivity: 143.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 7.70
ACD/LogD (pH 5.5): 8.41
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 892482.44
ACD/LogD (pH 7.4): 8.41
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 892482.44
Polar Surface Area: 64 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 438.3±3.0 cm3

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