ChemSpider 2D Image | 2-{4-Acetoxy-3-[(2-methyl-3-buten-2-yl)oxy]phenyl}-7-(methoxymethoxy)-4-oxo-4H-chromene-3,5-diyl diacetate | C28H28O11

2-{4-Acetoxy-3-[(2-methyl-3-buten-2-yl)oxy]phenyl}-7-(methoxymethoxy)-4-oxo-4H-chromene-3,5-diyl diacetate

  • Molecular FormulaC28H28O11
  • Average mass540.515 Da
  • Monoisotopic mass540.163147 Da
  • ChemSpider ID74146526

More details:

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

2-{4-Acetoxy-3-[(2-methyl-3-buten-2-yl)oxy]phenyl}-7-(methoxymethoxy)-4-oxo-4H-chromen-3,5-diyl-diacetat [German] [ACD/IUPAC Name]
2-{4-Acetoxy-3-[(2-methyl-3-buten-2-yl)oxy]phenyl}-7-(methoxymethoxy)-4-oxo-4H-chromene-3,5-diyl diacetate [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3,5-bis(acetyloxy)-2-[4-(acetyloxy)-3-[(1,1-dimethyl-2-propen-1-yl)oxy]phenyl]-7-(methoxymethoxy)- [ACD/Index Name]
Diacétate de 2-{4-acétoxy-3-[(2-méthyl-3-butén-2-yl)oxy]phényl}-7-(méthoxyméthoxy)-4-oxo-4H-chromène-3,5-diyle [French] [ACD/IUPAC 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: 658.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.0±3.0 kJ/mol
Flash Point: 277.8±31.5 °C
Index of Refraction: 1.579
Molar Refractivity: 135.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 2.64
ACD/LogD (pH 5.5): 3.53
ACD/BCF (pH 5.5): 282.55
ACD/KOC (pH 5.5): 1977.44
ACD/LogD (pH 7.4): 3.53
ACD/BCF (pH 7.4): 282.55
ACD/KOC (pH 7.4): 1977.44
Polar Surface Area: 133 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 54.8±5.0 dyne/cm
Molar Volume: 407.5±5.0 cm3

Click to predict properties on the Chemicalize site


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