Cas no 61827-10-9 (Oxiraneundecanoic acid, 3-pentyl-)

Oxiraneundecanoic acid, 3-pentyl- structure
61827-10-9 structure
Product Name:Oxiraneundecanoic acid, 3-pentyl-
CAS No:61827-10-9
MF:C18H34O3
MW:298.46076631546
CID:465199
PubChem ID:14475141
Update Time:2025-04-19

Oxiraneundecanoic acid, 3-pentyl- Chemical and Physical Properties

Names and Identifiers

    • Oxiraneundecanoic acid, 3-pentyl-
    • 11-(3-pentyloxiran-2-yl)undecanoic acid
    • CHEMBL281921
    • DTXSID20560757
    • SCHEMBL3125556
    • BDBM50280207
    • 11-(3-Pentyl-oxiranyl)-undecanoic acid
    • 61827-10-9
    • 12,13-epoxyoctadecanoic acid
    • Inchi: 1S/C18H34O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)
    • InChI Key: AHXFZOAYPPCFEB-UHFFFAOYSA-N
    • SMILES: O1C(CCCCC)C1CCCCCCCCCCC(=O)O

Computed Properties

  • Exact Mass: 298.25092
  • Monoisotopic Mass: 298.25079494g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 15
  • Complexity: 265
  • 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: 6.1
  • Topological Polar Surface Area: 49.8?2

Experimental Properties

  • PSA: 49.83
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