ChemSpider 2D Image | (2E,6E)-8-(4-Hydroxy-6-methoxy-1-oxo-1,3-dihydro-2-benzofuran-5-yl)-2,6-dimethyl-2,6-octadienoic acid | C19H22O6

(2E,6E)-8-(4-Hydroxy-6-methoxy-1-oxo-1,3-dihydro-2-benzofuran-5-yl)-2,6-dimethyl-2,6-octadienoic acid

  • Molecular FormulaC19H22O6
  • Average mass346.374 Da
  • Monoisotopic mass346.141632 Da
  • ChemSpider ID76715451

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,6E)-8-(4-Hydroxy-6-methoxy-1-oxo-1,3-dihydro-2-benzofuran-5-yl)-2,6-dimethyl-2,6-octadienoic acid [ACD/IUPAC Name]
(2E,6E)-8-(4-Hydroxy-6-methoxy-1-oxo-1,3-dihydro-2-benzofuran-5-yl)-2,6-dimethyl-2,6-octadiensäure [German] [ACD/IUPAC Name]
2,6-Octadienoic acid, 8-(1,3-dihydro-4-hydroxy-6-methoxy-1-oxo-5-isobenzofuranyl)-2,6-dimethyl-, (2E,6E)- [ACD/Index Name]
Acide (2E,6E)-8-(4-hydroxy-6-méthoxy-1-oxo-1,3-dihydro-2-benzofuran-5-yl)-2,6-diméthyl-2,6-octadiénoïque [French] [ACD/IUPAC Name]
Corallocin A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 631.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 98.2±3.0 kJ/mol
Flash Point: 228.1±25.0 °C
Index of Refraction: 1.585
Molar Refractivity: 92.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 49.01
ACD/KOC (pH 5.5): 374.57
ACD/LogD (pH 7.4): 0.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.77
Polar Surface Area: 93 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 52.8±3.0 dyne/cm
Molar Volume: 274.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement