Found 49 results

Search term: MF = 'C_{23}H_{39}NO_{5}S'
ChemSpider 2D Image | Ethyl 4-{[1-(3-butoxypropyl)-6-{[(2-methyl-2-propanyl)sulfanyl]methyl}-4-oxo-1,4-dihydro-3-pyridinyl]oxy}butanoate | C23H39NO5S

Ethyl 4-{[1-(3-butoxypropyl)-6-{[(2-methyl-2-propanyl)sulfanyl]methyl}-4-oxo-1,4-dihydro-3-pyridinyl]oxy}butanoate

  • Molecular FormulaC23H39NO5S
  • Average mass441.625 Da
  • Monoisotopic mass441.254883 Da
  • ChemSpider ID123333120

More details:

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

4-{[1-(3-Butoxypropyl)-6-{[(2-méthyl-2-propanyl)sulfanyl]méthyl}-4-oxo-1,4-dihydro-3-pyridinyl]oxy}butanoate d'éthyle [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[1-(3-butoxypropyl)-6-[[(1,1-dimethylethyl)thio]methyl]-1,4-dihydro-4-oxo-3-pyridinyl]oxy]-, ethyl ester [ACD/Index Name]
Ethyl 4-{[1-(3-butoxypropyl)-6-{[(2-methyl-2-propanyl)sulfanyl]methyl}-4-oxo-1,4-dihydro-3-pyridinyl]oxy}butanoate [ACD/IUPAC Name]
Ethyl-4-{[1-(3-butoxypropyl)-6-{[(2-methyl-2-propanyl)sulfanyl]methyl}-4-oxo-1,4-dihydro-3-pyridinyl]oxy}butanoat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 541.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.0±3.0 kJ/mol
Flash Point: 281.5±30.1 °C
Index of Refraction: 1.519
Molar Refractivity: 123.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 0
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 4.27
ACD/BCF (pH 5.5): 1034.66
ACD/KOC (pH 5.5): 5007.01
ACD/LogD (pH 7.4): 4.27
ACD/BCF (pH 7.4): 1034.78
ACD/KOC (pH 7.4): 5007.56
Polar Surface Area: 90 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 42.3±5.0 dyne/cm
Molar Volume: 406.3±5.0 cm3

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