Cas no 66785-57-7 (1,4,7,10,13-Pentaoxacyclopentadecane-2,3-dione)

1,4,7,10,13-Pentaoxacyclopentadecane-2,3-dione structure
66785-57-7 structure
Product Name:1,4,7,10,13-Pentaoxacyclopentadecane-2,3-dione
CAS No:66785-57-7
MF:C10H16O7
MW:248.229844093323
CID:528565
PubChem ID:326441
Update Time:2025-04-19

1,4,7,10,13-Pentaoxacyclopentadecane-2,3-dione Chemical and Physical Properties

Names and Identifiers

    • 1,4,7,10,13-Pentaoxacyclopentadecane-2,3-dione
    • NSC297863
    • NSC-297863
    • 66785-57-7
    • DTXSID90315852
    • Inchi: 1S/C10H16O7/c11-9-10(12)17-8-6-15-4-2-13-1-3-14-5-7-16-9/h1-8H2
    • InChI Key: GCFCXILEVOTMFQ-UHFFFAOYSA-N
    • SMILES: O1CCOCCOC(C(=O)OCCOCC1)=O

Computed Properties

  • Exact Mass: 248.09
  • Monoisotopic Mass: 248.09
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 0
  • Complexity: 217
  • 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: -0.3
  • Topological Polar Surface Area: 80.3?2

Experimental Properties

  • Density: 1.158
  • Boiling Point: 440.8°Cat760mmHg
  • Flash Point: 199.5°C
  • Refractive Index: 1.421
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