Found 477 results

Search term: MF = 'C_{16}H_{19}BrO_{4}'
ChemSpider 2D Image | 1-[(1R,2R,5S)-2-(4-Bromobenzyl)-1,5-dimethyl-6,7,8-trioxabicyclo[3.2.1]oct-2-yl]ethanone | C16H19BrO4

1-[(1R,2R,5S)-2-(4-Bromobenzyl)-1,5-dimethyl-6,7,8-trioxabicyclo[3.2.1]oct-2-yl]ethanone

  • Molecular FormulaC16H19BrO4
  • Average mass355.224 Da
  • Monoisotopic mass354.046661 Da
  • ChemSpider ID59001520

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-[(1R,2R,5S)-2-(4-Brombenzyl)-1,5-dimethyl-6,7,8-trioxabicyclo[3.2.1]oct-2-yl]ethanon [German] [ACD/IUPAC Name]
1-[(1R,2R,5S)-2-(4-Bromobenzyl)-1,5-dimethyl-6,7,8-trioxabicyclo[3.2.1]oct-2-yl]ethanone [ACD/IUPAC Name]
1-[(1R,2R,5S)-2-(4-Bromobenzyl)-1,5-diméthyl-6,7,8-trioxabicyclo[3.2.1]oct-2-yl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[(1R,2R,5S)-2-[(4-bromophenyl)methyl]-1,5-dimethyl-6,7,8-trioxabicyclo[3.2.1]oct-2-yl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 402.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.4±3.0 kJ/mol
Flash Point: 197.2±28.7 °C
Index of Refraction: 1.563
Molar Refractivity: 81.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.79
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 280.50
ACD/KOC (pH 5.5): 1967.13
ACD/LogD (pH 7.4): 3.52
ACD/BCF (pH 7.4): 280.50
ACD/KOC (pH 7.4): 1967.13
Polar Surface Area: 45 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 249.7±3.0 cm3

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