ChemSpider 2D Image | 3-[1-Hydroxy-3,5-bis(2-methyl-2-propanyl)-4-oxo-2,5-cyclohexadien-1-yl]propanoic acid | C17H26O4

3-[1-Hydroxy-3,5-bis(2-methyl-2-propanyl)-4-oxo-2,5-cyclohexadien-1-yl]propanoic acid

  • Molecular FormulaC17H26O4
  • Average mass294.386 Da
  • Monoisotopic mass294.183105 Da
  • ChemSpider ID71096194

More details:






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

2,5-Cyclohexadiene-1-propanoic acid, 3,5-bis(1,1-dimethylethyl)-1-hydroxy-4-oxo- [ACD/Index Name]
3-[1-Hydroxy-3,5-bis(2-methyl-2-propanyl)-4-oxo-2,5-cyclohexadien-1-yl]propanoic acid [ACD/IUPAC Name]
3-[1-Hydroxy-3,5-bis(2-methyl-2-propanyl)-4-oxo-2,5-cyclohexadien-1-yl]propansäure [German] [ACD/IUPAC Name]
83237-15-4 [RN]
Acide 3-[1-hydroxy-3,5-bis(2-méthyl-2-propanyl)-4-oxo-2,5-cyclohexadién-1-yl]propanoïque [French] [ACD/IUPAC Name]
3-(3,5-di-tert-butyl-1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)propanoic acid
3-(3,5-Ditert-butyl-1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)propanoic acid
MFCD31719277

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

Density: 1.1±0.1 g/cm3
Boiling Point: 460.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 83.1±6.0 kJ/mol
Flash Point: 246.1±25.2 °C
Index of Refraction: 1.526
Molar Refractivity: 80.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.86
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 7.55
ACD/KOC (pH 5.5): 72.49
ACD/LogD (pH 7.4): 0.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.15
Polar Surface Area: 75 Å2
Polarizability: 31.9±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 262.1±3.0 cm3

Click to predict properties on the Chemicalize site






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