ChemSpider 2D Image | 4-[4-Acetyl-3-(2-{2-[2-(4-acetyl-3-hydroxy-2-propylphenoxy)ethoxy]ethoxy}ethoxy)-2-propylphenoxy]butanoic acid | C32H44O10

4-[4-Acetyl-3-(2-{2-[2-(4-acetyl-3-hydroxy-2-propylphenoxy)ethoxy]ethoxy}ethoxy)-2-propylphenoxy]butanoic acid

  • Molecular FormulaC32H44O10
  • Average mass588.686 Da
  • Monoisotopic mass588.293457 Da
  • ChemSpider ID14734378

More details:

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

4-[4-Acetyl-3-(2-{2-[2-(4-acetyl-3-hydroxy-2-propylphenoxy)ethoxy]ethoxy}ethoxy)-2-propylphenoxy]butanoic acid [ACD/IUPAC Name]
4-[4-Acetyl-3-(2-{2-[2-(4-acetyl-3-hydroxy-2-propylphenoxy)ethoxy]ethoxy}ethoxy)-2-propylphenoxy]butansäure [German] [ACD/IUPAC Name]
Acide 4-[4-acétyl-3-(2-{2-[2-(4-acétyl-3-hydroxy-2-propylphénoxy)éthoxy]éthoxy}éthoxy)-2-propylphénoxy]butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[4-acetyl-3-[2-[2-[2-(4-acetyl-3-hydroxy-2-propylphenoxy)ethoxy]ethoxy]ethoxy]-2-propylphenoxy]- [ACD/Index Name]
4-[4-Acetyl-3-(2-{2-[2-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-ethoxy]-ethoxy}-ethoxy)-2-propyl-phenoxy]-butyric acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL298506/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 757.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.8±3.0 kJ/mol
Flash Point: 236.7±26.4 °C
Index of Refraction: 1.539
Molar Refractivity: 158.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 3
ACD/LogP: 6.23
ACD/LogD (pH 5.5): 4.49
ACD/BCF (pH 5.5): 897.03
ACD/KOC (pH 5.5): 2408.36
ACD/LogD (pH 7.4): 2.69
ACD/BCF (pH 7.4): 14.08
ACD/KOC (pH 7.4): 37.79
Polar Surface Area: 138 Å2
Polarizability: 62.7±0.5 10-24cm3
Surface Tension: 45.2±3.0 dyne/cm
Molar Volume: 505.4±3.0 cm3

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