Cas no 62938-60-7 (2,5-Furandione, dihydro-3-(pentacontenyl)-)

2,5-Furandione, dihydro-3-(pentacontenyl)- structure
62938-60-7 structure
Product Name:2,5-Furandione, dihydro-3-(pentacontenyl)-
CAS No:62938-60-7
MF:C54H102O3
MW:799.385898113251
CID:428527
PubChem ID:71381760
Update Time:2025-04-19

2,5-Furandione, dihydro-3-(pentacontenyl)- Chemical and Physical Properties

Names and Identifiers

    • 2,5-Furandione, dihydro-3-(pentacontenyl)-
    • 3-pentacont-1-enyloxolane-2,5-dione
    • 3-(PENTACONT-1-EN-1-YL)OXOLANE-2,5-DIONE
    • 62938-60-7
    • DTXSID80804184
    • Inchi: 1S/C54H102O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-48-49-50-52-51-53(55)57-54(52)56/h49-50,52H,2-48,51H2,1H3
    • InChI Key: NVKVDABUKYLDGD-UHFFFAOYSA-N
    • SMILES: O1C(CC(C1=O)C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O

Computed Properties

  • Exact Mass: 798.78336
  • Monoisotopic Mass: 798.78289711g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 57
  • Rotatable Bond Count: 48
  • Complexity: 848
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • XLogP3: 26
  • Topological Polar Surface Area: 43.4?2

Experimental Properties

  • PSA: 43.37
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