ChemSpider 2D Image | 2-Methyl-2-propanyl (15E)-11-(3-chlorobenzyl)-13,13-dimethyl-7,12-dioxo-1,18-dioxa-4,8,11-triazaspiro[5.13]nonadec-15-ene-4-carboxylate | C28H40ClN3O6

2-Methyl-2-propanyl (15E)-11-(3-chlorobenzyl)-13,13-dimethyl-7,12-dioxo-1,18-dioxa-4,8,11-triazaspiro[5.13]nonadec-15-ene-4-carboxylate

  • Molecular FormulaC28H40ClN3O6
  • Average mass550.087 Da
  • Monoisotopic mass549.260559 Da
  • ChemSpider ID107397456

  • Double-bond stereo - Double-bond stereo

More details:

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

(15E)-11-(3-Chlorobenzyl)-13,13-diméthyl-7,12-dioxo-1,18-dioxa-4,8,11-triazaspiro[5.13]nonadéc-15-ène-4-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1,18-Dioxa-4,8,11-triazaspiro[5.13]nonadec-15-ene-4-carboxylic acid, 11-[(3-chlorophenyl)methyl]-13,13-dimethyl-7,12-dioxo-, 1,1-dimethylethyl ester, (15E)- [ACD/Index Name]
2-Methyl-2-propanyl (15E)-11-(3-chlorobenzyl)-13,13-dimethyl-7,12-dioxo-1,18-dioxa-4,8,11-triazaspiro[5.13]nonadec-15-ene-4-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(15E)-11-(3-chlorbenzyl)-13,13-dimethyl-7,12-dioxo-1,18-dioxa-4,8,11-triazaspiro[5.13]nonadec-15-en-4-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 729.9±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: 1.571
Molar Refractivity: 146.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 3.48
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 429.39
ACD/KOC (pH 5.5): 2668.06
ACD/LogD (pH 7.4): 3.77
ACD/BCF (pH 7.4): 429.39
ACD/KOC (pH 7.4): 2668.07
Polar Surface Area: 97 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 52.4±5.0 dyne/cm
Molar Volume: 445.1±5.0 cm3

Click to predict properties on the Chemicalize site


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