Cas no 56554-64-4 (Hexadecane,1,1-bis(dodecyloxy)-)

Hexadecane,1,1-bis(dodecyloxy)- structure
56554-64-4 structure
Product Name:Hexadecane,1,1-bis(dodecyloxy)-
CAS No:56554-64-4
MF:C40H82O2
MW:595.077893733978
CID:376167
PubChem ID:41920
Update Time:2025-04-19

Hexadecane,1,1-bis(dodecyloxy)- Chemical and Physical Properties

Names and Identifiers

    • Hexadecane,1,1-bis(dodecyloxy)-
    • 1,1-didodecoxyhexadecane
    • 1,1-BIS(DODECYLOXY)HEXADECANE
    • 56554-64-4
    • DTXSID20205111
    • Hexadecane, 1,1-bis(dodecyloxy)-
    • IQWYYPSAYLKEME-UHFFFAOYSA-N
    • 1,1-bis(dodecyloxy)-hexadecane
    • 1,1-Bis(dodecyloxy)hexadecane #
    • Inchi: 1S/C40H82O2/c1-4-7-10-13-16-19-22-23-24-25-28-31-34-37-40(41-38-35-32-29-26-20-17-14-11-8-5-2)42-39-36-33-30-27-21-18-15-12-9-6-3/h40H,4-39H2,1-3H3
    • InChI Key: IQWYYPSAYLKEME-UHFFFAOYSA-N
    • SMILES: O(CCCCCCCCCCCC)C(CCCCCCCCCCCCCCC)OCCCCCCCCCCCC

Computed Properties

  • Exact Mass: 594.63186
  • Monoisotopic Mass: 594.63148185g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 42
  • Rotatable Bond Count: 38
  • Complexity: 425
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 19
  • Topological Polar Surface Area: 18.5?2

Experimental Properties

  • PSA: 18.46
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