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

(3-{2-[(3-Hydroxy-2,3-dimethyl-2-butanyl)oxy]-2-oxoethyl}phenyl)boronic acid

  • Molecular FormulaC14H21BO5
  • Average mass280.125 Da
  • Monoisotopic mass280.148193 Da
  • ChemSpider ID27474077

More details:

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

(3-{2-[(3-Hydroxy-2,3-dimethyl-2-butanyl)oxy]-2-oxoethyl}phenyl)boronic acid [ACD/IUPAC Name]
(3-{2-[(3-Hydroxy-2,3-dimethyl-2-butanyl)oxy]-2-oxoethyl}phenyl)borsäure [German] [ACD/IUPAC Name]
797755-05-6 [RN]
Acide (3-{2-[(3-hydroxy-2,3-diméthyl-2-butanyl)oxy]-2-oxoéthyl}phényl)boronique [French] [ACD/IUPAC Name]
Benzeneacetic acid, 3-borono-, 2-hydroxy-1,1,2-trimethylpropyl ester [ACD/Index Name]
2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetic acid
Phenylacetic acid-3-boronic 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: 466.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.7±3.0 kJ/mol
Flash Point: 235.9±31.5 °C
Index of Refraction: 1.528
Molar Refractivity: 73.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.90
ACD/LogD (pH 5.5): 1.96
ACD/BCF (pH 5.5): 18.20
ACD/KOC (pH 5.5): 277.56
ACD/LogD (pH 7.4): 1.91
ACD/BCF (pH 7.4): 16.15
ACD/KOC (pH 7.4): 246.32
Polar Surface Area: 87 Å2
Polarizability: 29.2±0.5 10-24cm3
Surface Tension: 46.6±5.0 dyne/cm
Molar Volume: 239.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement