ChemSpider 2D Image | (6S)-6-[2-(1,3-Benzodioxol-5-yl)vinyl]-4-methoxy-5,6-dihydro-2H-pyran-2-one | C15H14O5

(6S)-6-[2-(1,3-Benzodioxol-5-yl)vinyl]-4-methoxy-5,6-dihydro-2H-pyran-2-one

  • Molecular FormulaC15H14O5
  • Average mass274.269 Da
  • Monoisotopic mass274.084137 Da
  • ChemSpider ID32697083

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(6S)-6-[2-(1,3-Benzodioxol-5-yl)vinyl]-4-methoxy-5,6-dihydro-2H-pyran-2-on [German] [ACD/IUPAC Name]
(6S)-6-[2-(1,3-Benzodioxol-5-yl)vinyl]-4-methoxy-5,6-dihydro-2H-pyran-2-one [ACD/IUPAC Name]
(6S)-6-[2-(1,3-Benzodioxol-5-yl)vinyl]-4-méthoxy-5,6-dihydro-2H-pyran-2-one [French] [ACD/IUPAC Name]
2H-Pyran-2-one, 6-[2-(1,3-benzodioxol-5-yl)ethenyl]-5,6-dihydro-4-methoxy-, (6S)- [ACD/Index Name]
20697-20-5 [RN]
495-85-2 [RN]
Methysticin [Wiki]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 496.5±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 76.4±3.0 kJ/mol
    Flash Point: 223.9±28.8 °C
    Index of Refraction: 1.597
    Molar Refractivity: 71.0±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.81
    ACD/LogD (pH 5.5): 2.35
    ACD/BCF (pH 5.5): 35.75
    ACD/KOC (pH 5.5): 450.23
    ACD/LogD (pH 7.4): 2.35
    ACD/BCF (pH 7.4): 35.75
    ACD/KOC (pH 7.4): 450.23
    Polar Surface Area: 54 Å2
    Polarizability: 28.1±0.5 10-24cm3
    Surface Tension: 51.4±5.0 dyne/cm
    Molar Volume: 208.2±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement