ChemSpider 2D Image | Methysticin | C15H14O5

Methysticin

  • Molecular FormulaC15H14O5
  • Average mass274.269 Da
  • Monoisotopic mass274.084137 Da
  • ChemSpider ID31046681

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(6R)-6-[2-(1,3-Benzodioxol-5-yl)vinyl]-4-methoxy-5,6-dihydro-2H-pyran-2-on [German] [ACD/IUPAC Name]
(6R)-6-[2-(1,3-Benzodioxol-5-yl)vinyl]-4-methoxy-5,6-dihydro-2H-pyran-2-one [ACD/IUPAC Name]
(6R)-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-, (6R)- [ACD/Index Name]
Methysticin [Wiki]
(+)-methysticin
Kavatin

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


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