ChemSpider 2D Image | 4-{2-[(2-Methyl-2-propanyl)oxy]-2-oxoethyl}tetrahydro-2H-pyran-4-carboxylic acid | C12H20O5

4-{2-[(2-Methyl-2-propanyl)oxy]-2-oxoethyl}tetrahydro-2H-pyran-4-carboxylic acid

  • Molecular FormulaC12H20O5
  • Average mass244.284 Da
  • Monoisotopic mass244.131073 Da
  • ChemSpider ID58183696

More details:

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

2H-Pyran-4-acetic acid, 4-carboxytetrahydro-, α-(1,1-dimethylethyl) ester [ACD/Index Name]
4-{2-[(2-Methyl-2-propanyl)oxy]-2-oxoethyl}tetrahydro-2H-pyran-4-carbonsäure [German] [ACD/IUPAC Name]
4-{2-[(2-Methyl-2-propanyl)oxy]-2-oxoethyl}tetrahydro-2H-pyran-4-carboxylic acid [ACD/IUPAC Name]
Acide 4-{2-[(2-méthyl-2-propanyl)oxy]-2-oxoéthyl}tétrahydro-2H-pyrane-4-carboxylique [French] [ACD/IUPAC Name]
1955560-88-9 [RN]
4-[2-(tert-butoxy)-2-oxoethyl]oxane-4-carboxylic acid
MFCD29991365

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

Density: 1.1±0.1 g/cm3
Boiling Point: 355.5±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 66.0±6.0 kJ/mol
Flash Point: 129.4±17.2 °C
Index of Refraction: 1.472
Molar Refractivity: 60.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.35
ACD/LogD (pH 5.5): 0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.69
ACD/LogD (pH 7.4): -1.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 73 Å2
Polarizability: 23.9±0.5 10-24cm3
Surface Tension: 40.1±3.0 dyne/cm
Molar Volume: 215.3±3.0 cm3

Click to predict properties on the Chemicalize site


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