ChemSpider 2D Image | (4-{[(3-Hydroxy-2,3-dimethyl-2-butanyl)oxy]carbonyl}-2-methylphenyl)boronic acid | C14H21BO5

(4-{[(3-Hydroxy-2,3-dimethyl-2-butanyl)oxy]carbonyl}-2-methylphenyl)boronic acid

  • Molecular FormulaC14H21BO5
  • Average mass280.125 Da
  • Monoisotopic mass280.148193 Da
  • ChemSpider ID58803292

More details:

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

(4-{[(3-Hydroxy-2,3-dimethyl-2-butanyl)oxy]carbonyl}-2-methylphenyl)boronic acid [ACD/IUPAC Name]
(4-{[(3-Hydroxy-2,3-dimethyl-2-butanyl)oxy]carbonyl}-2-methylphenyl)borsäure [German] [ACD/IUPAC Name]
Acide (4-{[(3-hydroxy-2,3-diméthyl-2-butanyl)oxy]carbonyl}-2-méthylphényl)boronique [French] [ACD/IUPAC Name]
Benzoic acid, 4-borono-3-methyl-, 2-hydroxy-1,1,2-trimethylpropyl ester [ACD/Index Name]
269409-74-7 [RN]
3-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid [ACD/IUPAC Name]
4-borono-3-methylbenzoic acid pinacol ester

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 462.9±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 76.3±3.0 kJ/mol
    Flash Point: 233.8±31.5 °C
    Index of Refraction: 1.529
    Molar Refractivity: 73.7±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 3
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.34
    ACD/LogD (pH 5.5): 2.36
    ACD/BCF (pH 5.5): 36.58
    ACD/KOC (pH 5.5): 457.42
    ACD/LogD (pH 7.4): 2.28
    ACD/BCF (pH 7.4): 30.50
    ACD/KOC (pH 7.4): 381.33
    Polar Surface Area: 87 Å2
    Polarizability: 29.2±0.5 10-24cm3
    Surface Tension: 46.4±5.0 dyne/cm
    Molar Volume: 239.0±5.0 cm3

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