ChemSpider 2D Image | (3R)-4,4-Dimethyl-2-oxotetrahydro-3-furanyl 2-[(3-methoxybenzyl)oxy]propanoate | C17H22O6

(3R)-4,4-Dimethyl-2-oxotetrahydro-3-furanyl 2-[(3-methoxybenzyl)oxy]propanoate

  • Molecular FormulaC17H22O6
  • Average mass322.353 Da
  • Monoisotopic mass322.141632 Da
  • ChemSpider ID30485037

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(3R)-4,4-Dimethyl-2-oxotetrahydro-3-furanyl 2-[(3-methoxybenzyl)oxy]propanoate [ACD/IUPAC Name]
(3R)-4,4-Dimethyl-2-oxotetrahydro-3-furanyl-2-[(3-methoxybenzyl)oxy]propanoat [German] [ACD/IUPAC Name]
2-[(3-Méthoxybenzyl)oxy]propanoate de (3R)-4,4-diméthyl-2-oxotétrahydro-3-furanyle [French] [ACD/IUPAC Name]
Propanoic acid, 2-[(3-methoxyphenyl)methoxy]-, (3R)-tetrahydro-4,4-dimethyl-2-oxo-3-furanyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 475.9±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: 209.9±28.8 °C
Index of Refraction: 1.522
Molar Refractivity: 82.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.24
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 27.70
ACD/KOC (pH 5.5): 375.13
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 27.70
ACD/KOC (pH 7.4): 375.13
Polar Surface Area: 71 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 43.5±5.0 dyne/cm
Molar Volume: 271.4±5.0 cm3

Click to predict properties on the Chemicalize site


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