ChemSpider 2D Image | 3-Hydroxy-2-isopropyl-4-methoxy-4-oxobutanoic acid | C8H14O5

3-Hydroxy-2-isopropyl-4-methoxy-4-oxobutanoic acid

  • Molecular FormulaC8H14O5
  • Average mass190.194 Da
  • Monoisotopic mass190.084122 Da
  • ChemSpider ID23107095

More details:

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

3-Hydroxy-2-isopropyl-4-methoxy-4-oxobutanoic acid [ACD/IUPAC Name]
3-Hydroxy-2-isopropyl-4-methoxy-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide 3-hydroxy-2-isopropyl-4-méthoxy-4-oxobutanoïque [French] [ACD/IUPAC Name]
Butanedioic acid, 2-hydroxy-3-(1-methylethyl)-, 1-methyl ester [ACD/Index Name]
3-Hydroxy-2-isopropyl-4-methoxy-4-oxobutanoate [ACD/IUPAC Name]
3-hydroxy-4-methoxy-4-oxo-2-(propan-2-yl)butanoic acid

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

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

Density: 1.2±0.1 g/cm3
Boiling Point: 327.5±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 66.0±6.0 kJ/mol
Flash Point: 129.2±18.6 °C
Index of Refraction: 1.470
Molar Refractivity: 43.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.14
ACD/LogD (pH 5.5): -1.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 84 Å2
Polarizability: 17.4±0.5 10-24cm3
Surface Tension: 44.3±3.0 dyne/cm
Molar Volume: 157.3±3.0 cm3

Click to predict properties on the Chemicalize site


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