Cas no 473917-56-5 (3-(Heptadecan-8-YL)oxolane-2,5-dione)

3-(Heptadecan-8-YL)oxolane-2,5-dione structure
473917-56-5 structure
Product Name:3-(Heptadecan-8-YL)oxolane-2,5-dione
CAS No:473917-56-5
MF:C21H38O3
MW:338.52462720871
CID:2645061
PubChem ID:21348407
Update Time:2025-04-21

3-(Heptadecan-8-YL)oxolane-2,5-dione Chemical and Physical Properties

Names and Identifiers

    • 3-heptadecan-8-yloxolane-2,5-dione
    • 3-(HEPTADECAN-8-YL)OXOLANE-2,5-DIONE
    • DTXSID30612655
    • 473917-56-5
    • 3-(Heptadecan-8-YL)oxolane-2,5-dione
    • Inchi: 1S/C21H38O3/c1-3-5-7-9-10-12-14-16-18(15-13-11-8-6-4-2)19-17-20(22)24-21(19)23/h18-19H,3-17H2,1-2H3
    • InChI Key: HFEGRUXHQCXWAQ-UHFFFAOYSA-N
    • SMILES: O1C(CC(C1=O)C(CCCCCCC)CCCCCCCCC)=O

Computed Properties

  • Exact Mass: 338.28209507Da
  • Monoisotopic Mass: 338.28209507Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 15
  • Complexity: 351
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 8.5
  • Topological Polar Surface Area: 43.4?2
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