ChemSpider 2D Image | 2-[(1E)-6-Hydroxy-1-hexen-3-yn-1-yl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione | C11H14BNO5

2-[(1E)-6-Hydroxy-1-hexen-3-yn-1-yl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione

  • Molecular FormulaC11H14BNO5
  • Average mass251.044 Da
  • Monoisotopic mass251.096497 Da
  • ChemSpider ID96277739

  • Double-bond stereo - Double-bond stereo

More details:

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

2-[(1E)-6-Hydroxy-1-hexen-3-in-1-yl]-6-methyl-1,3,6,2-dioxazaborocan-4,8-dion [German] [ACD/IUPAC Name]
2-[(1E)-6-Hydroxy-1-hexen-3-yn-1-yl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione [ACD/IUPAC Name]
2-[(1E)-6-Hydroxy-1-hexén-3-yn-1-yl]-6-méthyl-1,3,6,2-dioxazaborocane-4,8-dione [French] [ACD/IUPAC Name]
4H-1,3,6,2-Dioxazaborocine-4,8(5H)-dione, dihydro-2-[(1E)-6-hydroxy-1-hexen-3-yn-1-yl]-6-methyl- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 351.8±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 69.1±6.0 kJ/mol
Flash Point: 166.6±30.7 °C
Index of Refraction: 1.524
Molar Refractivity: 61.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#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: 76 Å2
Polarizability: 24.4±0.5 10-24cm3
Surface Tension: 50.0±5.0 dyne/cm
Molar Volume: 201.0±5.0 cm3

Click to predict properties on the Chemicalize site


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