ChemSpider 2D Image | 2-Methyl-2-propanyl 2-hydroxy-5,5-dimethyl-4-(phenylethynyl)-2,5-dihydro-1,2-oxaborole-3-carboxylate | C18H21BO4

2-Methyl-2-propanyl 2-hydroxy-5,5-dimethyl-4-(phenylethynyl)-2,5-dihydro-1,2-oxaborole-3-carboxylate

  • Molecular FormulaC18H21BO4
  • Average mass312.168 Da
  • Monoisotopic mass312.153290 Da
  • ChemSpider ID74824014

More details:

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

1,2-Oxaborole-3-carboxylic acid, 2,5-dihydro-2-hydroxy-5,5-dimethyl-4-(2-phenylethynyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Hydroxy-5,5-diméthyl-4-(phényléthynyl)-2,5-dihydro-1,2-oxaborole-3-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 2-hydroxy-5,5-dimethyl-4-(phenylethynyl)-2,5-dihydro-1,2-oxaborole-3-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-hydroxy-5,5-dimethyl-4-(phenylethinyl)-2,5-dihydro-1,2-oxaborol-3-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 398.6±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.5±3.0 kJ/mol
Flash Point: 194.9±30.7 °C
Index of Refraction: 1.544
Molar Refractivity: 86.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 56 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 43.3±5.0 dyne/cm
Molar Volume: 273.7±5.0 cm3

Click to predict properties on the Chemicalize site


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