ChemSpider 2D Image | 2-Methyl-2-propanyl (16E)-10-(3-chlorobenzyl)-12-methyl-6,11-dioxo-13,19-dioxa-2,7,10-triazaspiro[4.15]icos-16-ene-2-carboxylate | C28H40ClN3O6

2-Methyl-2-propanyl (16E)-10-(3-chlorobenzyl)-12-methyl-6,11-dioxo-13,19-dioxa-2,7,10-triazaspiro[4.15]icos-16-ene-2-carboxylate

  • Molecular FormulaC28H40ClN3O6
  • Average mass550.087 Da
  • Monoisotopic mass549.260559 Da
  • ChemSpider ID107400189

  • Double-bond stereo - Double-bond stereo

More details:

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

(16E)-10-(3-Chlorobenzyl)-12-méthyl-6,11-dioxo-13,19-dioxa-2,7,10-triazaspiro[4.15]icos-16-ène-2-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
13,19-Dioxa-2,7,10-triazaspiro[4.15]eicos-16-ene-2-carboxylic acid, 10-[(3-chlorophenyl)methyl]-12-methyl-6,11-dioxo-, 1,1-dimethylethyl ester, (16E)- [ACD/Index Name]
2-Methyl-2-propanyl (16E)-10-(3-chlorobenzyl)-12-methyl-6,11-dioxo-13,19-dioxa-2,7,10-triazaspiro[4.15]icos-16-ene-2-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(16E)-10-(3-chlorbenzyl)-12-methyl-6,11-dioxo-13,19-dioxa-2,7,10-triazaspiro[4.15]icos-16-en-2-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: 743.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.4±3.0 kJ/mol
Flash Point: 403.4±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: 2.06
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 149.46
ACD/KOC (pH 5.5): 1253.55
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 149.46
ACD/KOC (pH 7.4): 1253.55
Polar Surface Area: 97 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 52.6±5.0 dyne/cm
Molar Volume: 445.3±5.0 cm3

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