Cas no 586969-04-2 (2-Ethylhexyl 3-oxo-2-pentanoylhexadecanoate)

2-Ethylhexyl 3-oxo-2-pentanoylhexadecanoate structure
586969-04-2 structure
Product Name:2-Ethylhexyl 3-oxo-2-pentanoylhexadecanoate
CAS No:586969-04-2
MF:C29H54O4
MW:466.736670017242
CID:2833722
PubChem ID:71363808
Update Time:2025-04-21

2-Ethylhexyl 3-oxo-2-pentanoylhexadecanoate Chemical and Physical Properties

Names and Identifiers

    • DTXSID50787314
    • 2-ETHYLHEXYL 3-OXO-2-PENTANOYLHEXADECANOATE
    • 586969-04-2
    • 2-Ethylhexyl 3-oxo-2-pentanoylhexadecanoate
    • Inchi: 1S/C29H54O4/c1-5-9-12-13-14-15-16-17-18-19-20-23-27(31)28(26(30)22-11-7-3)29(32)33-24-25(8-4)21-10-6-2/h25,28H,5-24H2,1-4H3
    • InChI Key: CNYSGFZLAGSZJN-UHFFFAOYSA-N
    • SMILES: O(C(C(C(CCCC)=O)C(CCCCCCCCCCCCC)=O)=O)CC(CC)CCCC

Computed Properties

  • Exact Mass: 466.40221020Da
  • Monoisotopic Mass: 466.40221020Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 33
  • Rotatable Bond Count: 25
  • Complexity: 500
  • 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: 10.7
  • Topological Polar Surface Area: 60.4?2
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