Cas no 62266-60-8 (7-Oxabicyclo[4.1.0]heptane-3-carboxylic acid, 4-methyl-, docosyl ester)

7-Oxabicyclo[4.1.0]heptane-3-carboxylic acid, 4-methyl-, docosyl ester structure
62266-60-8 structure
Product Name:7-Oxabicyclo[4.1.0]heptane-3-carboxylic acid, 4-methyl-, docosyl ester
CAS No:62266-60-8
MF:C30H56O3
MW:464.763850212097
CID:451805
PubChem ID:71388125
Update Time:2025-04-19

7-Oxabicyclo[4.1.0]heptane-3-carboxylic acid, 4-methyl-, docosyl ester Chemical and Physical Properties

Names and Identifiers

    • 7-Oxabicyclo[4.1.0]heptane-3-carboxylic acid, 4-methyl-, docosyl ester
    • docosyl 3-methyl-7-oxabicyclo[4.1.0]heptane-4-carboxylate
    • 62266-60-8
    • DTXSID40810201
    • DOCOSYL 4-METHYL-7-OXABICYCLO[4.1.0]HEPTANE-3-CARBOXYLATE
    • Inchi: 1S/C30H56O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-32-30(31)27-25-29-28(33-29)24-26(27)2/h26-29H,3-25H2,1-2H3
    • InChI Key: NTESZAWIIZSCKE-UHFFFAOYSA-N
    • SMILES: O1C2CC(C(=O)OCCCCCCCCCCCCCCCCCCCCCC)C(C)CC12

Computed Properties

  • Exact Mass: 464.42318
  • Monoisotopic Mass: 464.42294564g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 33
  • Rotatable Bond Count: 23
  • Complexity: 477
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 12.1
  • Topological Polar Surface Area: 38.8?2

Experimental Properties

  • PSA: 38.83
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