ChemSpider 2D Image | 2,2-Dimethyl-7-[(methylcarbamoyl)oxy]-2,3-dihydro-1-benzofuran-3-yl (2E)-2-methyl-2-butenoate | C17H21NO5

2,2-Dimethyl-7-[(methylcarbamoyl)oxy]-2,3-dihydro-1-benzofuran-3-yl (2E)-2-methyl-2-butenoate

  • Molecular FormulaC17H21NO5
  • Average mass319.352 Da
  • Monoisotopic mass319.141968 Da
  • ChemSpider ID25992367

More details:

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

(2E)-2-Méthyl-2-buténoate de 2,2-diméthyl-7-[(méthylcarbamoyl)oxy]-2,3-dihydro-1-benzofuran-3-yle [French] [ACD/IUPAC Name]
2,2-Dimethyl-7-[(methylcarbamoyl)oxy]-2,3-dihydro-1-benzofuran-3-yl (2E)-2-methyl-2-butenoate [ACD/IUPAC Name]
2,2-Dimethyl-7-[(methylcarbamoyl)oxy]-2,3-dihydro-1-benzofuran-3-yl-(2E)-2-methyl-2-butenoat [German] [ACD/IUPAC Name]
2-Butenoic acid, 2-methyl-, 2,3-dihydro-2,2-dimethyl-7-[[(methylamino)carbonyl]oxy]-3-benzofuranyl ester, (2E)- [ACD/Index Name]
[2,2-dimethyl-7-(methylcarbamoyloxy)-3H-1-benzofuran-3-yl] (Z)-2-methylbut-2-enoate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 397.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.8±3.0 kJ/mol
Flash Point: 194.1±27.9 °C
Index of Refraction: 1.550
Molar Refractivity: 84.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 100.60
ACD/KOC (pH 5.5): 944.21
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 100.60
ACD/KOC (pH 7.4): 944.20
Polar Surface Area: 74 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 45.7±5.0 dyne/cm
Molar Volume: 265.0±5.0 cm3

Click to predict properties on the Chemicalize site


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