ChemSpider 2D Image | 5-({5-[4-Acetyl-3-(ethylamino)-2-propylphenoxy]pentyl}oxy)-2-[(tetrahydro-2H-pyran-2-yloxy)methyl]-4H-pyran-4-one | C29H41NO7

5-({5-[4-Acetyl-3-(ethylamino)-2-propylphenoxy]pentyl}oxy)-2-[(tetrahydro-2H-pyran-2-yloxy)methyl]-4H-pyran-4-one

  • Molecular FormulaC29H41NO7
  • Average mass515.638 Da
  • Monoisotopic mass515.288330 Da
  • ChemSpider ID9629953

More details:

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

4H-Pyran-4-one, 5-[[5-[4-acetyl-3-(ethylamino)-2-propylphenoxy]pentyl]oxy]-2-[[(tetrahydro-2H-pyran-2-yl)oxy]methyl]- [ACD/Index Name]
5-({5-[4-Acetyl-3-(ethylamino)-2-propylphenoxy]pentyl}oxy)-2-[(tetrahydro-2H-pyran-2-yloxy)methyl]-4H-pyran-4-on [German] [ACD/IUPAC Name]
5-({5-[4-Acetyl-3-(ethylamino)-2-propylphenoxy]pentyl}oxy)-2-[(tetrahydro-2H-pyran-2-yloxy)methyl]-4H-pyran-4-one [ACD/IUPAC Name]
5-({5-[4-Acétyl-3-(éthylamino)-2-propylphénoxy]pentyl}oxy)-2-[(tétrahydro-2H-pyran-2-yloxy)méthyl]-4H-pyran-4-one [French] [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: 727.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.2±3.0 kJ/mol
Flash Point: 393.9±32.9 °C
Index of Refraction: 1.548
Molar Refractivity: 141.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 5.43
ACD/LogD (pH 5.5): 4.80
ACD/BCF (pH 5.5): 2589.97
ACD/KOC (pH 5.5): 9623.68
ACD/LogD (pH 7.4): 4.80
ACD/BCF (pH 7.4): 2621.03
ACD/KOC (pH 7.4): 9739.10
Polar Surface Area: 92 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 47.7±5.0 dyne/cm
Molar Volume: 444.1±5.0 cm3

Click to predict properties on the Chemicalize site


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