ChemSpider 2D Image | 1-Decyl-2-[(isopropylsulfanyl)methyl]-5-[(3-methoxybenzyl)oxy]-4(1H)-pyridinone | C27H41NO3S

1-Decyl-2-[(isopropylsulfanyl)methyl]-5-[(3-methoxybenzyl)oxy]-4(1H)-pyridinone

  • Molecular FormulaC27H41NO3S
  • Average mass459.684 Da
  • Monoisotopic mass459.280701 Da
  • ChemSpider ID123311790

More details:

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

1-Decyl-2-[(isopropylsulfanyl)methyl]-5-[(3-methoxybenzyl)oxy]-4(1H)-pyridinon [German] [ACD/IUPAC Name]
1-Decyl-2-[(isopropylsulfanyl)methyl]-5-[(3-methoxybenzyl)oxy]-4(1H)-pyridinone [ACD/IUPAC Name]
1-Décyl-2-[(isopropylsulfanyl)méthyl]-5-[(3-méthoxybenzyl)oxy]-4(1H)-pyridinone [French] [ACD/IUPAC Name]
4(1H)-Pyridinone, 1-decyl-5-[(3-methoxyphenyl)methoxy]-2-[[(1-methylethyl)thio]methyl]- [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: 579.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.7±3.0 kJ/mol
Flash Point: 304.1±30.1 °C
Index of Refraction: 1.550
Molar Refractivity: 136.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 7.97
ACD/LogD (pH 5.5): 8.14
ACD/BCF (pH 5.5): 905243.00
ACD/KOC (pH 5.5): 638862.69
ACD/LogD (pH 7.4): 8.14
ACD/BCF (pH 7.4): 905342.38
ACD/KOC (pH 7.4): 638932.81
Polar Surface Area: 64 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 43.7±5.0 dyne/cm
Molar Volume: 429.5±5.0 cm3

Click to predict properties on the Chemicalize site


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