ChemSpider 2D Image | 5,5-Dimethyl-4-[4-(methylsulfonyl)phenyl]-3-(3-pentanyloxy)-2(5H)-furanone | C18H24O5S

5,5-Dimethyl-4-[4-(methylsulfonyl)phenyl]-3-(3-pentanyloxy)-2(5H)-furanone

  • Molecular FormulaC18H24O5S
  • Average mass352.445 Da
  • Monoisotopic mass352.134430 Da
  • ChemSpider ID16322609

More details:

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

2(5H)-Furanone, 3-(1-ethylpropoxy)-5,5-dimethyl-4-[4-(methylsulfonyl)phenyl]- [ACD/Index Name]
5,5-Dimethyl-4-[4-(methylsulfonyl)phenyl]-3-(3-pentanyloxy)-2(5H)-furanon [German] [ACD/IUPAC Name]
5,5-Dimethyl-4-[4-(methylsulfonyl)phenyl]-3-(3-pentanyloxy)-2(5H)-furanone [ACD/IUPAC Name]
5,5-Diméthyl-4-[4-(méthylsulfonyl)phényl]-3-(3-pentanyloxy)-2(5H)-furanone [French] [ACD/IUPAC Name]
5,5-dimethyl-4-[4-(methylsulfonyl)phenyl]-3-(pentan-3-yloxy)furan-2(5H)-one
3-(1-Ethyl-propoxy)-4-(4-methanesulfonyl-phenyl)-5,5-dimethyl-5H-furan-2-one
CHEMBL68365

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

Density: 1.2±0.1 g/cm3
Boiling Point: 546.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.6±3.0 kJ/mol
Flash Point: 284.3±30.1 °C
Index of Refraction: 1.548
Molar Refractivity: 92.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.28
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 50.38
ACD/KOC (pH 5.5): 575.56
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 50.38
ACD/KOC (pH 7.4): 575.56
Polar Surface Area: 78 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 45.4±5.0 dyne/cm
Molar Volume: 290.2±5.0 cm3

Click to predict properties on the Chemicalize site


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