ChemSpider 2D Image | Methyl 2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecine-15-carboxylate | C16H22O7

Methyl 2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecine-15-carboxylate

  • Molecular FormulaC16H22O7
  • Average mass326.342 Da
  • Monoisotopic mass326.136566 Da
  • ChemSpider ID19026151

More details:






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

1,4,7,10,13-Benzopentaoxacyclopentadecin-15-carboxylic acid, 2,3,5,6,8,9,11,12-octahydro-, methyl ester [ACD/Index Name]
2,3,5,6,8,9,11,12-Octahydro-1,4,7,10,13-benzopentaoxacyclopentadécine-15-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecine-15-carboxylate [ACD/IUPAC Name]
Methyl-2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-carboxylat [German] [ACD/IUPAC Name]
[56683-56-8]
2,3-(4-Methoxycarbonylbenzo)-1,4,7,10,13-pentaoxacyclopentadec-2-ene
4'-Methoxycarbonylbenzo-15-crown 5-Ether
4'-methoxycarbonylbenzo-15-crown5-ether
56683-56-8 [RN]
Methyl 2,3,5,6,8,9,11,12-octahydrobenzo[b][1,4,7,10,13]pentaoxacyclopentadecine-15-carboxylate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 465.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.8±3.0 kJ/mol
Flash Point: 205.6±28.8 °C
Index of Refraction: 1.474
Molar Refractivity: 81.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.75
ACD/LogD (pH 5.5): 0.54
ACD/BCF (pH 5.5): 1.52
ACD/KOC (pH 5.5): 46.87
ACD/LogD (pH 7.4): 0.54
ACD/BCF (pH 7.4): 1.52
ACD/KOC (pH 7.4): 46.87
Polar Surface Area: 72 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 38.9±3.0 dyne/cm
Molar Volume: 289.0±3.0 cm3

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