ChemSpider 2D Image | 5-{(2S,3S)-7-Methoxy-3-methyl-5-[(1E)-1-propen-1-yl]-2,3-dihydro-1-benzofuran-2-yl}-1,3-benzodioxole | C20H20O4

5-{(2S,3S)-7-Methoxy-3-methyl-5-[(1E)-1-propen-1-yl]-2,3-dihydro-1-benzofuran-2-yl}-1,3-benzodioxole

  • Molecular FormulaC20H20O4
  • Average mass324.370 Da
  • Monoisotopic mass324.136169 Da
  • ChemSpider ID113612084

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,3-Benzodioxole, 5-[(2S,3S)-2,3-dihydro-7-methoxy-3-methyl-5-[(1E)-1-propen-1-yl]-2-benzofuranyl]- [ACD/Index Name]
5-{(2S,3S)-7-Methoxy-3-methyl-5-[(1E)-1-propen-1-yl]-2,3-dihydro-1-benzofuran-2-yl}-1,3-benzodioxol [German] [ACD/IUPAC Name]
5-{(2S,3S)-7-Methoxy-3-methyl-5-[(1E)-1-propen-1-yl]-2,3-dihydro-1-benzofuran-2-yl}-1,3-benzodioxole [ACD/IUPAC Name]
5-{(2S,3S)-7-Méthoxy-3-méthyl-5-[(1E)-1-propén-1-yl]-2,3-dihydro-1-benzofuran-2-yl}-1,3-benzodioxole [French] [ACD/IUPAC 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: 428.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 65.7±3.0 kJ/mol
Flash Point: 131.4±35.6 °C
Index of Refraction: 1.608
Molar Refractivity: 93.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.08
ACD/LogD (pH 5.5): 4.51
ACD/BCF (pH 5.5): 1566.11
ACD/KOC (pH 5.5): 6736.76
ACD/LogD (pH 7.4): 4.51
ACD/BCF (pH 7.4): 1566.11
ACD/KOC (pH 7.4): 6736.76
Polar Surface Area: 37 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 46.8±3.0 dyne/cm
Molar Volume: 269.9±3.0 cm3

Click to predict properties on the Chemicalize site


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