Cas no 918883-29-1 (Pentyl 4-oxodecanoate)

Pentyl 4-oxodecanoate structure
Pentyl 4-oxodecanoate structure
Product Name:Pentyl 4-oxodecanoate
CAS No:918883-29-1
MF:C15H28O3
MW:256.381025314331
CID:769335
Update Time:2023-08-03

Pentyl 4-oxodecanoate Chemical and Physical Properties

Names and Identifiers

    • Decanoic acid, 4-oxo-, pentyl ester
    • pentyl 4-oxodecanoate
    • 4-Ketocapric acid pentyl ester
    • Pentyl 4-oxodecanoate
    • Inchi: 1S/C15H28O3/c1-3-5-7-8-10-14(16)11-12-15(17)18-13-9-6-4-2/h3-13H2,1-2H3
    • InChI Key: MCIDWXIDROUORJ-UHFFFAOYSA-N
    • SMILES: O(C(CCC(CCCCCC)=O)=O)CCCCC

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 13
  • Complexity: 224
  • Topological Polar Surface Area: 43.4
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