ChemSpider 2D Image | (3R,6Z)-6-(Bromomethylene)-3-(1-naphthyl)tetrahydro-2H-pyran-2-one | C16H13BrO2

(3R,6Z)-6-(Bromomethylene)-3-(1-naphthyl)tetrahydro-2H-pyran-2-one

  • Molecular FormulaC16H13BrO2
  • Average mass317.177 Da
  • Monoisotopic mass316.009888 Da
  • ChemSpider ID114816259

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R,6Z)-6-(Brommethylen)-3-(1-naphthyl)tetrahydro-2H-pyran-2-on [German] [ACD/IUPAC Name]
(3R,6Z)-6-(Bromomethylene)-3-(1-naphthyl)tetrahydro-2H-pyran-2-one [ACD/IUPAC Name]
(3R,6Z)-6-(Bromométhylène)-3-(1-naphtyl)tétrahydro-2H-pyran-2-one [French] [ACD/IUPAC Name]
2H-Pyran-2-one, 6-(bromomethylene)tetrahydro-3-(1-naphthalenyl)-, (3R,6Z)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 467.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.9±3.0 kJ/mol
Flash Point: 236.2±28.7 °C
Index of Refraction: 1.716
Molar Refractivity: 81.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.36
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 1175.23
ACD/KOC (pH 5.5): 5485.21
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 1175.23
ACD/KOC (pH 7.4): 5485.21
Polar Surface Area: 26 Å2
Polarizability: 32.1±0.5 10-24cm3
Surface Tension: 62.5±3.0 dyne/cm
Molar Volume: 206.2±3.0 cm3

Click to predict properties on the Chemicalize site


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