ChemSpider 2D Image | 6-Acetoxy-7-methyl-8-oxo-3-propyl(8a-~2~H)octahydro-1H-isochromen-7-yl 2-hydroxy-4-methoxy-6-methylbenzoate | C24H31DO8

6-Acetoxy-7-methyl-8-oxo-3-propyl(8a-2H)octahydro-1H-isochromen-7-yl 2-hydroxy-4-methoxy-6-methylbenzoate

  • Molecular FormulaC24H31DO8
  • Average mass449.512 Da
  • Monoisotopic mass449.216003 Da
  • ChemSpider ID26285807

  • Non-standard isotope - Non-standard isotope

More details:

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

2-Hydroxy-4-méthoxy-6-méthylbenzoate de 6-acétoxy-7-méthyl-8-oxo-3-propyl(8a-2H)octahydro-1H-isochromén-7-yle [French] [ACD/IUPAC Name]
6-Acetoxy-7-methyl-8-oxo-3-propyl(8a-2H)octahydro-1H-isochromen-7-yl 2-hydroxy-4-methoxy-6-methylbenzoate [ACD/IUPAC Name]
6-Acetoxy-7-methyl-8-oxo-3-propyl(8a-2H)octahydro-1H-isochromen-7-yl-2-hydroxy-4-methoxy-6-methylbenzoat [German] [ACD/IUPAC Name]
Benzoic acid, 2-hydroxy-4-methoxy-6-methyl-, 6-(acetyloxy)octahydro-8a-d-7-methyl-8-oxo-3-propyl-1H-2-benzopyran-7-yl ester [ACD/Index Name]
(6-acetoxy-8a-deuterio-7-methyl-8-oxo-3-propyl-1,3,4,4a,5,6-hexahydroisochromen-7-yl) 2-hydroxy-4-methoxy-6-methyl-benzoate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 569.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.6±3.0 kJ/mol
Flash Point: 187.6±23.6 °C
Index of Refraction: 1.550
Molar Refractivity: 114.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.76
ACD/LogD (pH 5.5): 4.53
ACD/BCF (pH 5.5): 1623.38
ACD/KOC (pH 5.5): 6889.94
ACD/LogD (pH 7.4): 4.25
ACD/BCF (pH 7.4): 861.40
ACD/KOC (pH 7.4): 3655.96
Polar Surface Area: 108 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 51.0±5.0 dyne/cm
Molar Volume: 360.2±5.0 cm3

Click to predict properties on the Chemicalize site


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