ChemSpider 2D Image | 1-Benzyl-5-[3-ethoxy-4-(pentyloxy)phenyl]-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylene]-2,3-pyrrolidinedione | C34H37NO6

1-Benzyl-5-[3-ethoxy-4-(pentyloxy)phenyl]-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylene]-2,3-pyrrolidinedione

  • Molecular FormulaC34H37NO6
  • Average mass555.661 Da
  • Monoisotopic mass555.262085 Da
  • ChemSpider ID3101186

More details:

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

1-Benzyl-5-[3-ethoxy-4-(pentyloxy)phenyl]-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylen]-2,3-pyrrolidindion [German] [ACD/IUPAC Name]
1-Benzyl-5-[3-ethoxy-4-(pentyloxy)phenyl]-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylene]-2,3-pyrrolidinedione [ACD/IUPAC Name]
1-Benzyl-5-[3-éthoxy-4-(pentyloxy)phényl]-4-[hydroxy(2-méthyl-2,3-dihydro-1-benzofuran-5-yl)méthylène]-2,3-pyrrolidinedione [French] [ACD/IUPAC Name]
2,3-Pyrrolidinedione, 4-[(2,3-dihydro-2-methyl-5-benzofuranyl)hydroxymethylene]-5-[3-ethoxy-4-(pentyloxy)phenyl]-1-(phenylmethyl)- [ACD/Index 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: 710.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.1±3.0 kJ/mol
Flash Point: 383.5±35.7 °C
Index of Refraction: 1.608
Molar Refractivity: 157.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.73
ACD/LogD (pH 5.5): 6.01
ACD/BCF (pH 5.5): 21694.78
ACD/KOC (pH 5.5): 44163.73
ACD/LogD (pH 7.4): 5.89
ACD/BCF (pH 7.4): 16605.39
ACD/KOC (pH 7.4): 33803.35
Polar Surface Area: 85 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 51.4±3.0 dyne/cm
Molar Volume: 454.6±3.0 cm3

Click to predict properties on the Chemicalize site


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