Found 49 results

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

3-Methylbutyl ({1-(3-butoxypropyl)-6-[(isopropylsulfanyl)methyl]-4-oxo-1,4-dihydro-3-pyridinyl}oxy)acetate

  • Molecular FormulaC23H39NO5S
  • Average mass441.625 Da
  • Monoisotopic mass441.254883 Da
  • ChemSpider ID123389460

More details:

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

({1-(3-Butoxypropyl)-6-[(isopropylsulfanyl)méthyl]-4-oxo-1,4-dihydro-3-pyridinyl}oxy)acétate de 3-méthylbutyle [French] [ACD/IUPAC Name]
3-Methylbutyl ({1-(3-butoxypropyl)-6-[(isopropylsulfanyl)methyl]-4-oxo-1,4-dihydro-3-pyridinyl}oxy)acetate [ACD/IUPAC Name]
3-Methylbutyl-({1-(3-butoxypropyl)-6-[(isopropylsulfanyl)methyl]-4-oxo-1,4-dihydro-3-pyridinyl}oxy)acetat [German] [ACD/IUPAC Name]
Acetic acid, 2-[[1-(3-butoxypropyl)-1,4-dihydro-6-[[(1-methylethyl)thio]methyl]-4-oxo-3-pyridinyl]oxy]-, 3-methylbutyl ester [ACD/Index 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: 540.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.8±3.0 kJ/mol
Flash Point: 280.5±30.1 °C
Index of Refraction: 1.517
Molar Refractivity: 123.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 1
ACD/LogP: 5.14
ACD/LogD (pH 5.5): 4.79
ACD/BCF (pH 5.5): 2563.78
ACD/KOC (pH 5.5): 9586.61
ACD/LogD (pH 7.4): 4.79
ACD/BCF (pH 7.4): 2563.92
ACD/KOC (pH 7.4): 9587.15
Polar Surface Area: 90 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 41.9±5.0 dyne/cm
Molar Volume: 407.1±5.0 cm3

Click to predict properties on the Chemicalize site


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