ChemSpider 2D Image | 3-Hydroxy-2-isopropyl-4-methoxy-4-oxobutanoate | C8H13O5

3-Hydroxy-2-isopropyl-4-methoxy-4-oxobutanoate

  • Molecular FormulaC8H13O5
  • Average mass189.186 Da
  • Monoisotopic mass189.076843 Da
  • ChemSpider ID23089925

  • Charge - Charge

More details:

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

3-Hydroxy-2-isopropyl-4-methoxy-4-oxobutanoat [German] [ACD/IUPAC Name]
3-Hydroxy-2-isopropyl-4-methoxy-4-oxobutanoate [ACD/IUPAC Name]
3-Hydroxy-2-isopropyl-4-méthoxy-4-oxobutanoate [French] [ACD/IUPAC Name]
Butanedioic acid, 2-hydroxy-3-(1-methylethyl)-, 1-methyl ester, ion(1-) [ACD/Index Name]
  • Miscellaneous

    • Chemical Class:

      The conjugate base of a succinic acid monoester having an isopropyl substituent at the 2-position and a hydroxy substituent at the 3-position. ChEBI CHEBI:52960

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

Density:
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:
Molar Refractivity:
#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: 87 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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