ChemSpider 2D Image | 3,3-Dimethyl-2-oxobutyl 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-phenylpropanoate | C33H31NO5

3,3-Dimethyl-2-oxobutyl 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-phenylpropanoate

  • Molecular FormulaC33H31NO5
  • Average mass521.603 Da
  • Monoisotopic mass521.220215 Da
  • ChemSpider ID2547575

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-phénylpropanoate de 3,3-diméthyl-2-oxobutyle [French] [ACD/IUPAC Name]
3,3-Dimethyl-2-oxobutyl 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-phenylpropanoate [ACD/IUPAC Name]
3,3-Dimethyl-2-oxobutyl-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-phenylpropanoat [German] [ACD/IUPAC Name]
3,3-dimethyl-2-oxobutyl 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-phenylpropanoate (non-preferred 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: 729.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.5±3.0 kJ/mol
Flash Point: 395.2±32.9 °C
Index of Refraction: 1.617
Molar Refractivity: 144.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.72
ACD/LogD (pH 5.5): 6.24
ACD/BCF (pH 5.5): 32718.82
ACD/KOC (pH 5.5): 59330.27
ACD/LogD (pH 7.4): 6.24
ACD/BCF (pH 7.4): 32718.82
ACD/KOC (pH 7.4): 59330.27
Polar Surface Area: 81 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 413.4±3.0 cm3

Click to predict properties on the Chemicalize site


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