ChemSpider 2D Image | Methyl {4-[(2-hydroxy-3-methyl-3-buten-1-yl)oxy]phenyl}acetate | C14H18O4

Methyl {4-[(2-hydroxy-3-methyl-3-buten-1-yl)oxy]phenyl}acetate

  • Molecular FormulaC14H18O4
  • Average mass250.290 Da
  • Monoisotopic mass250.120514 Da
  • ChemSpider ID35516741

More details:

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

{4-[(2-Hydroxy-3-méthyl-3-butén-1-yl)oxy]phényl}acétate de méthyle [French] [ACD/IUPAC Name]
Benzeneacetic acid, 4-[(2-hydroxy-3-methyl-3-buten-1-yl)oxy]-, methyl ester [ACD/Index Name]
Methyl {4-[(2-hydroxy-3-methyl-3-buten-1-yl)oxy]phenyl}acetate [ACD/IUPAC Name]
Methyl-{4-[(2-hydroxy-3-methyl-3-buten-1-yl)oxy]phenyl}acetat [German] [ACD/IUPAC Name]
methyl {4-[(2-hydroxy-3-methylbut-3-en-1-yl)oxy]phenyl}acetate
Westerdijkin A
  • Miscellaneous

    • Chemical Class:

      A methyl ester resulting from the formal condensation of the the carboxy group of {4-[(2-hydroxy-3-methylbut-3-en-1-yl)oxy]phenyl}acetic acid with methanol. It is a natural product isolated from the c ulture of the deep sea-derived fungus Aspergillus westerdijkiae SCSIO 05233. ChEBI CHEBI:192355

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

Density: 1.1±0.1 g/cm3
Boiling Point: 379.8±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.2±3.0 kJ/mol
Flash Point: 138.1±20.0 °C
Index of Refraction: 1.521
Molar Refractivity: 68.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.29
ACD/LogD (pH 5.5): 2.08
ACD/BCF (pH 5.5): 22.49
ACD/KOC (pH 5.5): 323.08
ACD/LogD (pH 7.4): 2.08
ACD/BCF (pH 7.4): 22.49
ACD/KOC (pH 7.4): 323.08
Polar Surface Area: 56 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 39.3±3.0 dyne/cm
Molar Volume: 225.0±3.0 cm3

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