ChemSpider 2D Image | 4-[(2S)-2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)propoxy]-3,5-dimethylphenyl acetate | C21H21NO5

4-[(2S)-2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)propoxy]-3,5-dimethylphenyl acetate

  • Molecular FormulaC21H21NO5
  • Average mass367.395 Da
  • Monoisotopic mass367.141968 Da
  • ChemSpider ID35034381

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Isoindole-1,3(2H)-dione, 2-[(1S)-2-[4-(acetyloxy)-2,6-dimethylphenoxy]-1-methylethyl]- [ACD/Index Name]
4-[(2S)-2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)propoxy]-3,5-dimethylphenyl acetate [ACD/IUPAC Name]
4-[(2S)-2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)propoxy]-3,5-dimethylphenyl-acetat [German] [ACD/IUPAC Name]
4-{[(2s)-2-(1,3-Dioxo-1,3-Dihydro-2h-Isoindol-2-Yl)propyl]oxy}-3,5-Dimethylphenyl Acetate
Acétate de 4-[(2S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propoxy]-3,5-diméthylphényle [French] [ACD/IUPAC Name]
SS7

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

Density: 1.3±0.1 g/cm3
Boiling Point: 510.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.1±3.0 kJ/mol
Flash Point: 262.3±30.1 °C
Index of Refraction: 1.588
Molar Refractivity: 98.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.09
ACD/LogD (pH 5.5): 3.68
ACD/BCF (pH 5.5): 367.97
ACD/KOC (pH 5.5): 2388.97
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 367.97
ACD/KOC (pH 7.4): 2388.97
Polar Surface Area: 73 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 293.3±3.0 cm3

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