Found 126 results

Search term: MF = 'C_{20}H_{31}NO_{6}S'
ChemSpider 2D Image | 4-(Ethylsulfonyl)-2-({4-[4-(2-methyl-2-propanyl)phenoxy]butanoyl}amino)butanoic acid | C20H31NO6S

4-(Ethylsulfonyl)-2-({4-[4-(2-methyl-2-propanyl)phenoxy]butanoyl}amino)butanoic acid

  • Molecular FormulaC20H31NO6S
  • Average mass413.528 Da
  • Monoisotopic mass413.187195 Da
  • ChemSpider ID34709620

More details:

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

4-(Ethylsulfonyl)-2-({4-[4-(2-methyl-2-propanyl)phenoxy]butanoyl}amino)butanoic acid [ACD/IUPAC Name]
4-(Ethylsulfonyl)-2-({4-[4-(2-methyl-2-propanyl)phenoxy]butanoyl}amino)butansäure [German] [ACD/IUPAC Name]
Acide 4-(éthylsulfonyl)-2-({4-[4-(2-méthyl-2-propanyl)phénoxy]butanoyl}amino)butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2-[[4-[4-(1,1-dimethylethyl)phenoxy]-1-oxobutyl]amino]-4-(ethylsulfonyl)- [ACD/Index 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: 695.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.9±3.0 kJ/mol
Flash Point: 374.1±31.5 °C
Index of Refraction: 1.525
Molar Refractivity: 107.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 2.81
ACD/LogD (pH 5.5): -0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.70
ACD/LogD (pH 7.4): -1.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 118 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 350.7±3.0 cm3

Click to predict properties on the Chemicalize site


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