ChemSpider 2D Image | 6-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-7-hydroxy-5-methoxy-2-benzofuran-1(3H)-one | C19H24O4

6-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-7-hydroxy-5-methoxy-2-benzofuran-1(3H)-one

  • Molecular FormulaC19H24O4
  • Average mass316.392 Da
  • Monoisotopic mass316.167450 Da
  • ChemSpider ID24686884

  • Double-bond stereo - Double-bond stereo

More details:

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

1(3H)-Isobenzofuranone, 6-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-7-hydroxy-5-methoxy- [ACD/Index Name]
6-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-7-hydroxy-5-methoxy-2-benzofuran-1(3H)-on [German] [ACD/IUPAC Name]
6-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-7-hydroxy-5-methoxy-2-benzofuran-1(3H)-one [ACD/IUPAC Name]
6-[(2E)-3,7-Diméthyl-2,6-octadién-1-yl]-7-hydroxy-5-méthoxy-2-benzofuran-1(3H)-one [French] [ACD/IUPAC Name]
Hericenone J
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL448835/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 521.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.5±3.0 kJ/mol
Flash Point: 186.0±23.6 °C
Index of Refraction: 1.559
Molar Refractivity: 90.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.35
ACD/LogD (pH 5.5): 5.25
ACD/BCF (pH 5.5): 5757.72
ACD/KOC (pH 5.5): 17106.83
ACD/LogD (pH 7.4): 5.25
ACD/BCF (pH 7.4): 5721.06
ACD/KOC (pH 7.4): 16997.88
Polar Surface Area: 56 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 280.2±3.0 cm3

Click to predict properties on the Chemicalize site


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