Cas no 62266-59-5 (7-Oxabicyclo[4.1.0]heptane-3-carboxylic acid, octadecyl ester)

7-Oxabicyclo[4.1.0]heptane-3-carboxylic acid, octadecyl ester structure
62266-59-5 structure
Product Name:7-Oxabicyclo[4.1.0]heptane-3-carboxylic acid, octadecyl ester
CAS No:62266-59-5
MF:C25H46O3
MW:394.630948543549
CID:451806
PubChem ID:22712608
Update Time:2025-04-19

7-Oxabicyclo[4.1.0]heptane-3-carboxylic acid, octadecyl ester Chemical and Physical Properties

Names and Identifiers

    • 7-Oxabicyclo[4.1.0]heptane-3-carboxylic acid, octadecyl ester
    • octadecyl 7-oxabicyclo[4.1.0]heptane-4-carboxylate
    • MVLBLRUUSZWMKQ-UHFFFAOYSA-N
    • DTXSID00627695
    • 62266-59-5
    • SCHEMBL3800216
    • OCTADECYL 7-OXABICYCLO[4.1.0]HEPTANE-3-CARBOXYLATE
    • Octadecyl 3,4-epoxycyclohexanecarboxylate
    • Inchi: 1S/C25H46O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27-25(26)22-18-19-23-24(21-22)28-23/h22-24H,2-21H2,1H3
    • InChI Key: MVLBLRUUSZWMKQ-UHFFFAOYSA-N
    • SMILES: O1C2CCC(C(=O)OCCCCCCCCCCCCCCCCCC)CC12

Computed Properties

  • Exact Mass: 394.34488
  • Monoisotopic Mass: 394.34469533g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 19
  • Complexity: 395
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 9.5
  • Topological Polar Surface Area: 38.8?2

Experimental Properties

  • PSA: 38.83
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