ChemSpider 2D Image | 3,7-Bis(hexyloxy)-5-hydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4H-chromen-4-one | C37H44O10

3,7-Bis(hexyloxy)-5-hydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4H-chromen-4-one

  • Molecular FormulaC37H44O10
  • Average mass648.739 Da
  • Monoisotopic mass648.293457 Da
  • ChemSpider ID58909445

More details:

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

3,7-Bis(hexyloxy)-5-hydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4H-chromen-4-on [German] [ACD/IUPAC Name]
3,7-Bis(hexyloxy)-5-hydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4H-chromen-4-one [ACD/IUPAC Name]
3,7-Bis(hexyloxy)-5-hydroxy-2-[3-(4-hydroxy-3-méthoxyphényl)-2-(hydroxyméthyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-[2,3-dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxin-6-yl]-3,7-bis(hexyloxy)-5-hydroxy- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 815.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.2±3.0 kJ/mol
Flash Point: 252.2±27.8 °C
Index of Refraction: 1.623
Molar Refractivity: 174.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 7.86
ACD/LogD (pH 5.5): 7.62
ACD/BCF (pH 5.5): 349785.88
ACD/KOC (pH 5.5): 306495.06
ACD/LogD (pH 7.4): 6.46
ACD/BCF (pH 7.4): 24200.34
ACD/KOC (pH 7.4): 21205.22
Polar Surface Area: 133 Å2
Polarizability: 69.2±0.5 10-24cm3
Surface Tension: 63.2±5.0 dyne/cm
Molar Volume: 494.9±5.0 cm3

Click to predict properties on the Chemicalize site


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