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

Ethyl 1,14-dimethyl-4,10-bis(2-methylphenyl)-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 ID2368398

More details:

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

1,14-Diméthyl-4,10-bis(2-méthylphényl)-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-2,6-bis(2-methylphenyl)-1,3,5,7-tetraoxo-, ethyl ester [ACD/Index Name]
Ethyl 1,14-dimethyl-4,10-bis(2-methylphenyl)-3,5,9,11-tetraoxo-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-13-carboxylate [ACD/IUPAC Name]
Ethyl-1,14-dimethyl-4,10-bis(2-methylphenyl)-3,5,9,11-tetraoxo-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-en-13-carboxylat [German] [ACD/IUPAC Name]

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

BAS 00659228 [DBID]
ChemDiv1_005817 [DBID]
MLS000560372 [DBID]
SMR000175725 [DBID]
UNM000000572801 [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: 766.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.6±3.0 kJ/mol
Flash Point: 417.1±32.9 °C
Index of Refraction: 1.621
Molar Refractivity: 140.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.93
ACD/LogD (pH 5.5): 4.58
ACD/BCF (pH 5.5): 1795.02
ACD/KOC (pH 5.5): 7427.81
ACD/LogD (pH 7.4): 4.58
ACD/BCF (pH 7.4): 1795.03
ACD/KOC (pH 7.4): 7427.82
Polar Surface Area: 101 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 54.4±3.0 dyne/cm
Molar Volume: 398.6±3.0 cm3

Click to predict properties on the Chemicalize site


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