ChemSpider 2D Image | Ethyl 4,10-dibenzyl-1,14-dimethyl-3,5,9,11-tetraoxo-4,10-diazatetracyclo[5.5.2.0~2,6~.0~8,12~]tetradec-13-ene-13-carboxylate | C31H30N2O6

Ethyl 4,10-dibenzyl-1,14-dimethyl-3,5,9,11-tetraoxo-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-13-carboxylate

  • Molecular FormulaC31H30N2O6
  • Average mass526.580 Da
  • Monoisotopic mass526.210388 Da
  • ChemSpider ID2107064

More details:

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

4,10-Dibenzyl-1,14-diméthyl-3,5,9,11-tétraoxo-4,10-diazatétracyclo[5.5.2.02,6.08,12]tétradéc-13-ène-13-carboxylate d'éthyle [French] [ACD/IUPAC Name]
4,8-Ethenopyrrolo[3,4-f]isoindole-9-carboxylic acid, 1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-8,10-dimethyl-1,3,5,7-tetraoxo-2,6-bis(phenylmethyl)-, ethyl ester [ACD/Index Name]
Ethyl 4,10-dibenzyl-1,14-dimethyl-3,5,9,11-tetraoxo-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-13-carboxylate [ACD/IUPAC Name]
Ethyl-4,10-dibenzyl-1,14-dimethyl-3,5,9,11-tetraoxo-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-en-13-carboxylat [German] [ACD/IUPAC Name]
463298-29-5 [RN]
ethyl 2,6-dibenzyl-8,10-dimethyl-1,3,5,7-tetraoxododecahydro-4,8-ethenopyrrolo[3,4-f]isoindole-9-carboxylate
ethyl 4,10-bisbenzyl-1,14-dimethyl-3,5,9,11-tetraoxo-4,10-diazatetracyclo[5.5.2.0<2,6>.0<8,12>]tetradec-13-ene-13-carboxylate

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

BAS 00659213 [DBID]
CBDivE_005861 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 735.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.4±3.0 kJ/mol
Flash Point: 398.8±32.9 °C
Index of Refraction: 1.628
Molar Refractivity: 140.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.68
ACD/LogD (pH 5.5): 5.12
ACD/BCF (pH 5.5): 4581.14
ACD/KOC (pH 5.5): 14525.06
ACD/LogD (pH 7.4): 5.12
ACD/BCF (pH 7.4): 4581.14
ACD/KOC (pH 7.4): 14525.06
Polar Surface Area: 101 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 57.5±3.0 dyne/cm
Molar Volume: 394.3±3.0 cm3

Click to predict properties on the Chemicalize site


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