Cas no 79687-36-8 (1,4,7,10,13,16-Hexaoxacyclooctadecane-2,5,9-trione)

1,4,7,10,13,16-Hexaoxacyclooctadecane-2,5,9-trione structure
79687-36-8 structure
Product Name:1,4,7,10,13,16-Hexaoxacyclooctadecane-2,5,9-trione
CAS No:79687-36-8
MF:C12H18O9
MW:306.265924930573
CID:532421
PubChem ID:71402791
Update Time:2025-04-19

1,4,7,10,13,16-Hexaoxacyclooctadecane-2,5,9-trione Chemical and Physical Properties

Names and Identifiers

    • 1,4,7,10,13,16-Hexaoxacyclooctadecane-2,5,9-trione
    • DTXSID50823746
    • 79687-36-8
    • Inchi： 1S/C12H18O9/c13-10-7-18-8-11(14)21-9-12(15)20-6-4-17-2-1-16-3-5-19-10/h1-9H2
    • InChI Key： UAHFLOMSIGDBPN-UHFFFAOYSA-N
    • SMILES： O1CCOC(COCC(=O)OCC(=O)OCCOCC1)=O

Computed Properties

  • Exact Mass: 306.09508215g/mol
  • Monoisotopic Mass: 306.09508215g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 0
  • Complexity: 342
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.7
  • Topological Polar Surface Area: 107?2

1,4,7,10,13,16-Hexaoxacyclooctadecane-2,5,9-trione Related Literature

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