Cas no 85920-71-4 (1-Oxacyclotetradecane-2,4-dione)

1-Oxacyclotetradecane-2,4-dione structure
85920-71-4 structure
Product Name:1-Oxacyclotetradecane-2,4-dione
CAS No:85920-71-4
MF:C13H22O3
MW:226.311984539032
CID:2808465
PubChem ID:12827181
Update Time:2025-04-21

1-Oxacyclotetradecane-2,4-dione Chemical and Physical Properties

Names and Identifiers

    • DTXSID80510879
    • 1-OXACYCLOTETRADECANE-2,4-DIONE
    • 85920-71-4
    • 1-Oxacyclotetradecane-2,4-dione
    • Inchi: 1S/C13H22O3/c14-12-9-7-5-3-1-2-4-6-8-10-16-13(15)11-12/h1-11H2
    • InChI Key: DSMOQRAVYHIRLL-UHFFFAOYSA-N
    • SMILES: O1C(CC(CCCCCCCCCC1)=O)=O

Computed Properties

  • Exact Mass: 226.15689456Da
  • Monoisotopic Mass: 226.15689456Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 0
  • Complexity: 223
  • 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: 3.5
  • Topological Polar Surface Area: 43.4?2
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