ChemSpider 2D Image | (2S)-2-Hydroxy-2-methyl-4-oxopentanoic acid | C6H10O4

(2S)-2-Hydroxy-2-methyl-4-oxopentanoic acid

  • Molecular FormulaC6H10O4
  • Average mass146.141 Da
  • Monoisotopic mass146.057907 Da
  • ChemSpider ID32993872
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2S)-2-Hydroxy-2-methyl-4-oxopentanoic acid [ACD/IUPAC Name]
(2S)-2-Hydroxy-2-methyl-4-oxopentansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-hydroxy-2-méthyl-4-oxopentanoïque [French] [ACD/IUPAC Name]
Pentanoic acid, 2-hydroxy-2-methyl-4-oxo-, (2S)- [ACD/Index Name]
774603-36-0 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 318.4±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 64.9±6.0 kJ/mol
Flash Point: 160.6±18.8 °C
Index of Refraction: 1.476
Molar Refractivity: 32.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.24
ACD/LogD (pH 5.5): -2.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 13.1±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 116.9±3.0 cm3

Click to predict properties on the Chemicalize site






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