ChemSpider 2D Image | 4-Hydroxy-6-methyl-3-[4-(~2~H_3_)methyl(~2~H_8_)pentanoyl]-2H-pyran-2-one | C12H5D11O4

4-Hydroxy-6-methyl-3-[4-(2H3)methyl(2H8)pentanoyl]-2H-pyran-2-one

  • Molecular FormulaC12H5D11O4
  • Average mass235.321 Da
  • Monoisotopic mass235.173904 Da
  • ChemSpider ID128917743

  • Non-standard isotope - Non-standard isotope

More details:

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

2H-Pyran-2-one, 4-hydroxy-6-methyl-3-[4-(methyl-d3)-1-oxopentyl-2,2,3,3,4,5,5,5-d8]- [ACD/Index Name]
4-Hydroxy-6-methyl-3-[4-(2H3)methyl(2H8)pentanoyl]-2H-pyran-2-on [German] [ACD/IUPAC Name]
4-Hydroxy-6-methyl-3-[4-(2H3)methyl(2H8)pentanoyl]-2H-pyran-2-one [ACD/IUPAC Name]
4-Hydroxy-6-méthyl-3-[4-(2H3)méthyl(2H8)pentanoyl]-2H-pyran-2-one [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 348.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 68.6±6.0 kJ/mol
Flash Point: 129.9±21.4 °C
Index of Refraction: 1.525
Molar Refractivity: 58.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.63
ACD/LogD (pH 5.5): 1.08
ACD/BCF (pH 5.5): 3.06
ACD/KOC (pH 5.5): 58.35
ACD/LogD (pH 7.4): -0.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.20
Polar Surface Area: 64 Å2
Polarizability: 23.0±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 189.2±3.0 cm3

Click to predict properties on the Chemicalize site


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