ChemSpider 2D Image | 2-(2,5-Dimethylphenyl)-2-oxoethyl 2-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-3-methylbutanoate | C33H31NO5

2-(2,5-Dimethylphenyl)-2-oxoethyl 2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-3-methylbutanoate

  • Molecular FormulaC33H31NO5
  • Average mass521.603 Da
  • Monoisotopic mass521.220215 Da
  • ChemSpider ID2374922

More details:

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

2-(16,18-Dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadéca-2,4,6,9,11,13-hexaén-17-yl)-3-méthylbutanoate de 2-(2,5-diméthylphényl)-2-oxoéthyle [French] [ACD/IUPAC Name]
2-(2,5-Dimethylphenyl)-2-oxoethyl 2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-3-methylbutanoate [ACD/IUPAC Name]
2-(2,5-Dimethylphenyl)-2-oxoethyl-2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-3-methylbutanoat [German] [ACD/IUPAC Name]
2-(2,5-dimethylphenyl)-2-oxoethyl 2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-3-methylbutanoate (non-preferred name)

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

BAS 00874679 [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: 717.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.9±3.0 kJ/mol
Flash Point: 387.9±32.9 °C
Index of Refraction: 1.619
Molar Refractivity: 145.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.77
ACD/LogD (pH 5.5): 6.50
ACD/BCF (pH 5.5): 51498.48
ACD/KOC (pH 5.5): 82088.86
ACD/LogD (pH 7.4): 6.50
ACD/BCF (pH 7.4): 51498.48
ACD/KOC (pH 7.4): 82088.86
Polar Surface Area: 81 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 51.6±3.0 dyne/cm
Molar Volume: 414.8±3.0 cm3

Click to predict properties on the Chemicalize site


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