ChemSpider 2D Image | Tetraethyl 21-oxo-5,12-diazatetracyclo[14.2.2.1~5,12~.0~6,11~]henicosa-1(18),6,8,10,16,19-hexaene-3,3,14,14-tetracarboxylate | C31H36N2O9

Tetraethyl 21-oxo-5,12-diazatetracyclo[14.2.2.15,12.06,11]henicosa-1(18),6,8,10,16,19-hexaene-3,3,14,14-tetracarboxylate

  • Molecular FormulaC31H36N2O9
  • Average mass580.625 Da
  • Monoisotopic mass580.242065 Da
  • ChemSpider ID9672725

More details:

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

21-Oxo-5,12-diazatétracyclo[14.2.2.15,12.06,11]hénicosa-1(18),6,8,10,16,19-hexaène-3,3,14,14-tétracarboxylate de tétraéthyle [French] [ACD/IUPAC Name]
5,8-Etheno-1,12-methano-1,12-benzodiazacyclotetradecine-3,3,10,10(2H,11H)-tetracarboxylic acid, 4,9-dihydro-17-oxo-, tetraethyl ester [ACD/Index Name]
Tetraethyl 21-oxo-5,12-diazatetracyclo[14.2.2.15,12.06,11]henicosa-1(18),6,8,10,16,19-hexaene-3,3,14,14-tetracarboxylate [ACD/IUPAC Name]
Tetraethyl-21-oxo-5,12-diazatetracyclo[14.2.2.15,12.06,11]henicosa-1(18),6,8,10,16,19-hexaen-3,3,14,14-tetracarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 628.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.0±3.0 kJ/mol
Flash Point: 334.2±31.5 °C
Index of Refraction: 1.598
Molar Refractivity: 150.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 6.35
ACD/LogD (pH 5.5): 5.53
ACD/BCF (pH 5.5): 9438.13
ACD/KOC (pH 5.5): 24367.62
ACD/LogD (pH 7.4): 5.53
ACD/BCF (pH 7.4): 9438.13
ACD/KOC (pH 7.4): 24367.62
Polar Surface Area: 129 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 59.9±5.0 dyne/cm
Molar Volume: 441.7±5.0 cm3

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