ChemSpider 2D Image | 2-(3-Hydroxy-2,2-dimethylpropoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile | C18H26BNO4

2-(3-Hydroxy-2,2-dimethylpropoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

  • Molecular FormulaC18H26BNO4
  • Average mass331.214 Da
  • Monoisotopic mass331.195496 Da
  • ChemSpider ID31023692

More details:

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

2-(3-Hydroxy-2,2-dimethylpropoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitril [German] [ACD/IUPAC Name]
2-(3-Hydroxy-2,2-dimethylpropoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile [ACD/IUPAC Name]
2-(3-Hydroxy-2,2-diméthylpropoxy)-4-(4,4,5,5-tétraméthyl-1,3,2-dioxaborolan-2-yl)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 2-(3-hydroxy-2,2-dimethylpropoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- [ACD/Index Name]
2-(3-hydroxy-2,2-dimethylpropoxy)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
2490666-02-7 [RN]
MFCD28041304 [MDL number]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 483.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.9±3.0 kJ/mol
Flash Point: 246.3±27.3 °C
Index of Refraction: 1.516
Molar Refractivity: 90.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#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: 72 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 41.8±5.0 dyne/cm
Molar Volume: 299.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement