ChemSpider 2D Image | 3-[(2,2,3,3-~2~H_4_)Cyclopropylmethoxy]-5,5-dimethyl-4-[4-(methylsulfonyl)phenyl]-2(5H)-furanone | C17H16D4O5S

3-[(2,2,3,3-2H4)Cyclopropylmethoxy]-5,5-dimethyl-4-[4-(methylsulfonyl)phenyl]-2(5H)-furanone

  • Molecular FormulaC17H16D4O5S
  • Average mass340.427 Da
  • Monoisotopic mass340.128265 Da
  • ChemSpider ID48063200

  • Non-standard isotope - Non-standard isotope

More details:

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

2(5H)-Furanone, 3-(cyclopropyl-2,2,3,3-d4-methoxy)-5,5-dimethyl-4-[4-(methylsulfonyl)phenyl]- [ACD/Index Name]
3-[(2,2,3,3-2H4)Cyclopropylmethoxy]-5,5-dimethyl-4-[4-(methylsulfonyl)phenyl]-2(5H)-furanon [German] [ACD/IUPAC Name]
3-[(2,2,3,3-2H4)Cyclopropylmethoxy]-5,5-dimethyl-4-[4-(methylsulfonyl)phenyl]-2(5H)-furanone [ACD/IUPAC Name]
3-[(2,2,3,3-2H4)Cyclopropylméthoxy]-5,5-diméthyl-4-[4-(méthylsulfonyl)phényl]-2(5H)-furanone [French] [ACD/IUPAC Name]
1325700-11-5 [RN]
5,5-dimethyl-4-(4-methylsulfonylphenyl)-3-[(2,2,3,3-tetradeuteriocyclopropyl)methoxy]furan-2-one

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 563.9±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: 294.8±30.1 °C
    Index of Refraction: 1.584
    Molar Refractivity: 85.5±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.23
    ACD/LogD (pH 5.5): 1.76
    ACD/BCF (pH 5.5): 12.80
    ACD/KOC (pH 5.5): 215.84
    ACD/LogD (pH 7.4): 1.76
    ACD/BCF (pH 7.4): 12.80
    ACD/KOC (pH 7.4): 215.84
    Polar Surface Area: 78 Å2
    Polarizability: 33.9±0.5 10-24cm3
    Surface Tension: 51.5±5.0 dyne/cm
    Molar Volume: 255.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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