ChemSpider 2D Image | (6S)-4-[(~2~H_3_)Methyloxy]-6-(2-phenylethyl)-5,6-dihydro-2H-pyran-2-one | C14H13D3O3

(6S)-4-[(2H3)Methyloxy]-6-(2-phenylethyl)-5,6-dihydro-2H-pyran-2-one

  • Molecular FormulaC14H13D3O3
  • Average mass235.294 Da
  • Monoisotopic mass235.128769 Da
  • ChemSpider ID128942961

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(6S)-4-[(2H3)Methyloxy]-6-(2-phenylethyl)-5,6-dihydro-2H-pyran-2-on [German] [ACD/IUPAC Name]
(6S)-4-[(2H3)Methyloxy]-6-(2-phenylethyl)-5,6-dihydro-2H-pyran-2-one [ACD/IUPAC Name]
(6S)-4-[(2H3)Méthyloxy]-6-(2-phényléthyl)-5,6-dihydro-2H-pyran-2-one [French] [ACD/IUPAC Name]
2H-Pyran-2-one, 5,6-dihydro-4-(methyl-d3-oxy)-6-(2-phenylethyl)-, (6S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 413.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.6±3.0 kJ/mol
Flash Point: 175.6±23.3 °C
Index of Refraction: 1.544
Molar Refractivity: 65.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.95
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 43.07
ACD/KOC (pH 5.5): 514.47
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 43.07
ACD/KOC (pH 7.4): 514.47
Polar Surface Area: 36 Å2
Polarizability: 25.8±0.5 10-24cm3
Surface Tension: 41.3±5.0 dyne/cm
Molar Volume: 206.0±5.0 cm3

Click to predict properties on the Chemicalize site


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