Cas no 28115-78-8 (3,6,9,12,15,18,21,24,27,30,33,36-Dodecaoxatritetracontan-1-ol)

3,6,9,12,15,18,21,24,27,30,33,36-Dodecaoxatritetracontan-1-ol structure
28115-78-8 structure
Product Name:3,6,9,12,15,18,21,24,27,30,33,36-Dodecaoxatritetracontan-1-ol
CAS No:28115-78-8
MF:C31H64O13
MW:644.832072257996
CID:278191
PubChem ID:53439800
Update Time:2025-04-19

3,6,9,12,15,18,21,24,27,30,33,36-Dodecaoxatritetracontan-1-ol Chemical and Physical Properties

Names and Identifiers

    • 3,6,9,12,15,18,21,24,27,30,33,36-Dodecaoxatritetracontan-1-ol
    • Ethanol,2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(heptyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-
    • 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-heptoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
    • DTXSID20702170
    • 28115-78-8
    • Inchi： 1S/C31H64O13/c1-2-3-4-5-6-8-33-10-12-35-14-16-37-18-20-39-22-24-41-26-28-43-30-31-44-29-27-42-25-23-40-21-19-38-17-15-36-13-11-34-9-7-32/h32H,2-31H2,1H3
    • InChI Key： BFTUSUSEVXQBRO-UHFFFAOYSA-N
    • SMILES： O(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)CCCCCCC

Computed Properties

  • Exact Mass: 644.43482
  • Monoisotopic Mass: 644.43469209g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 13
  • Heavy Atom Count: 44
  • Rotatable Bond Count: 41
  • Complexity: 492
  • 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: 0.8
  • Topological Polar Surface Area: 131?2

Experimental Properties

  • PSA: 130.99

3,6,9,12,15,18,21,24,27,30,33,36-Dodecaoxatritetracontan-1-ol Related Literature

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