ChemSpider 2D Image | Ethyl 3-[3-(cyclopentyloxy)-4-methoxyphenyl]-3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]propanoate | C23H28O8

Ethyl 3-[3-(cyclopentyloxy)-4-methoxyphenyl]-3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]propanoate

  • Molecular FormulaC23H28O8
  • Average mass432.464 Da
  • Monoisotopic mass432.178406 Da
  • ChemSpider ID27321538

More details:






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

3-[3-(Cyclopentyloxy)-4-méthoxyphényl]-3-[3-hydroxy-6-(hydroxyméthyl)-4-oxo-4H-pyran-2-yl]propanoate d'éthyle [French] [ACD/IUPAC Name]
4H-Pyran-2-propanoic acid, β-[3-(cyclopentyloxy)-4-methoxyphenyl]-3-hydroxy-6-(hydroxymethyl)-4-oxo-, ethyl ester [ACD/Index Name]
Ethyl 3-[3-(cyclopentyloxy)-4-methoxyphenyl]-3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]propanoate [ACD/IUPAC Name]
Ethyl-3-[3-(cyclopentyloxy)-4-methoxyphenyl]-3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]propanoat [German] [ACD/IUPAC Name]
1324076-65-4 [RN]
ethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]propanoate
ETHYL 3-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]-3-[3-HYDROXY-6-(HYDROXYMETHYL)-4-OXOPYRAN-2-YL]PROPANOATE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 643.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.8±3.0 kJ/mol
Flash Point: 220.3±25.0 °C
Index of Refraction: 1.585
Molar Refractivity: 111.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.04
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 47.70
ACD/KOC (pH 5.5): 552.91
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 37.65
ACD/KOC (pH 7.4): 436.46
Polar Surface Area: 112 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 56.3±3.0 dyne/cm
Molar Volume: 331.4±3.0 cm3

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