ChemSpider 2D Image | 3-[(1R)-1-Cyclopropylethoxy]-5,5-dimethyl-4-[4-(methylsulfonyl)phenyl]-2(5H)-furanone | C18H22O5S

3-[(1R)-1-Cyclopropylethoxy]-5,5-dimethyl-4-[4-(methylsulfonyl)phenyl]-2(5H)-furanone

  • Molecular FormulaC18H22O5S
  • Average mass350.429 Da
  • Monoisotopic mass350.118805 Da
  • ChemSpider ID62423960

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2(5H)-Furanone, 3-[(1R)-1-cyclopropylethoxy]-5,5-dimethyl-4-[4-(methylsulfonyl)phenyl]- [ACD/Index Name]
3-[(1R)-1-Cyclopropylethoxy]-5,5-dimethyl-4-[4-(methylsulfonyl)phenyl]-2(5H)-furanon [German] [ACD/IUPAC Name]
3-[(1R)-1-Cyclopropylethoxy]-5,5-dimethyl-4-[4-(methylsulfonyl)phenyl]-2(5H)-furanone [ACD/IUPAC Name]
3-[(1R)-1-Cyclopropyléthoxy]-5,5-diméthyl-4-[4-(méthylsulfonyl)phényl]-2(5H)-furanone [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 563.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.7±3.0 kJ/mol
Flash Point: 294.7±30.1 °C
Index of Refraction: 1.576
Molar Refractivity: 90.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.58
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 24.26
ACD/KOC (pH 5.5): 341.13
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 24.26
ACD/KOC (pH 7.4): 341.13
Polar Surface Area: 78 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 49.5±5.0 dyne/cm
Molar Volume: 272.0±5.0 cm3

Click to predict properties on the Chemicalize site


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