Cas no 138148-96-6 (1,1,11-Undecanetricarboxylic acid, 4-oxo-2-(1-oxoheptyl)-, 1,1-diethyl11-methyl ester)

1,1,11-Undecanetricarboxylic acid, 4-oxo-2-(1-oxoheptyl)-, 1,1-diethyl11-methyl ester structure
138148-96-6 structure
Product Name:1,1,11-Undecanetricarboxylic acid, 4-oxo-2-(1-oxoheptyl)-, 1,1-diethyl11-methyl ester
CAS No:138148-96-6
MF:C26H44O8
MW:484.622769355774
CID:1251204
Update Time:2024-08-03

1,1,11-Undecanetricarboxylic acid, 4-oxo-2-(1-oxoheptyl)-, 1,1-diethyl11-methyl ester Chemical and Physical Properties

Names and Identifiers

    • 1,1,11-Undecanetricarboxylic acid, 4-oxo-2-(1-oxoheptyl)-, 1,1-diethyl11-methyl ester
    • 1,1,11-Undecanetricarboxylic acid, 4-oxo-2-(1-oxoheptyl)-, 1,1-diethyl 11-methyl ester
    • Inchi: 1S/C26H44O8/c1-5-8-9-14-17-22(28)21(24(25(30)33-6-2)26(31)34-7-3)19-20(27)16-13-11-10-12-15-18-23(29)32-4/h21,24H,5-19H2,1-4H3
    • InChI Key: RRBABDTZDQWXGZ-UHFFFAOYSA-N
    • SMILES: C(C(=O)OCC)(C(=O)OCC)C(C(=O)CCCCCC)CC(=O)CCCCCCCC(=O)OC

Computed Properties

  • Exact Mass: 484.30372

Experimental Properties

  • Density: 1.046±0.06 g/cm3(Predicted)
  • Boiling Point: 566.0±50.0 °C(Predicted)
  • PSA: 113.04
  • pka: 11.48±0.59(Predicted)
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