ChemSpider 2D Image | (2S,6S)-2-(4-Methoxyphenoxy)-6-methyl-3-oxo-3,6-dihydro-2H-pyran-4-yl benzoate | C20H18O6

(2S,6S)-2-(4-Methoxyphenoxy)-6-methyl-3-oxo-3,6-dihydro-2H-pyran-4-yl benzoate

  • Molecular FormulaC20H18O6
  • Average mass354.353 Da
  • Monoisotopic mass354.110352 Da
  • ChemSpider ID24741707

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,6S)-2-(4-Methoxyphenoxy)-6-methyl-3-oxo-3,6-dihydro-2H-pyran-4-yl benzoate [ACD/IUPAC Name]
(2S,6S)-2-(4-Methoxyphenoxy)-6-methyl-3-oxo-3,6-dihydro-2H-pyran-4-yl-benzoat [German] [ACD/IUPAC Name]
2H-Pyran-3(6H)-one, 4-(benzoyloxy)-2-(4-methoxyphenoxy)-6-methyl-, (2S,6S)- [ACD/Index Name]
Benzoate de (2S,6S)-2-(4-méthoxyphénoxy)-6-méthyl-3-oxo-3,6-dihydro-2H-pyran-4-yle [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: 538.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.6±3.0 kJ/mol
Flash Point: 237.3±30.2 °C
Index of Refraction: 1.595
Molar Refractivity: 93.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.75
ACD/LogD (pH 5.5): 3.40
ACD/BCF (pH 5.5): 224.58
ACD/KOC (pH 5.5): 1677.72
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 224.58
ACD/KOC (pH 7.4): 1677.72
Polar Surface Area: 71 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 52.3±5.0 dyne/cm
Molar Volume: 274.6±5.0 cm3

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