ChemSpider 2D Image | 5-Bromo-4-methoxy-2-{[(4R)-5,5,7-trimethylspiro[2.5]oct-7-en-4-yl]methyl}phenyl acetate | C21H27BrO3

5-Bromo-4-methoxy-2-{[(4R)-5,5,7-trimethylspiro[2.5]oct-7-en-4-yl]methyl}phenyl acetate

  • Molecular FormulaC21H27BrO3
  • Average mass407.341 Da
  • Monoisotopic mass406.114349 Da
  • ChemSpider ID62426226

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

5-Brom-4-methoxy-2-{[(4R)-5,5,7-trimethylspiro[2.5]oct-7-en-4-yl]methyl}phenyl-acetat [German] [ACD/IUPAC Name]
5-Bromo-4-methoxy-2-{[(4R)-5,5,7-trimethylspiro[2.5]oct-7-en-4-yl]methyl}phenyl acetate [ACD/IUPAC Name]
Acétate de 5-bromo-4-méthoxy-2-{[(4R)-5,5,7-triméthylspiro[2.5]oct-7-én-4-yl]méthyl}phényle [French] [ACD/IUPAC Name]
Phenol, 5-bromo-4-methoxy-2-[[(4R)-5,5,7-trimethylspiro[2.5]oct-7-en-4-yl]methyl]-, acetate [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 475.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.9±3.0 kJ/mol
Flash Point: 241.2±28.7 °C
Index of Refraction: 1.571
Molar Refractivity: 103.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.78
ACD/LogD (pH 5.5): 6.46
ACD/BCF (pH 5.5): 47770.22
ACD/KOC (pH 5.5): 77789.87
ACD/LogD (pH 7.4): 6.46
ACD/BCF (pH 7.4): 47770.22
ACD/KOC (pH 7.4): 77789.87
Polar Surface Area: 36 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 45.2±5.0 dyne/cm
Molar Volume: 313.6±5.0 cm3

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