Cas no 54459-71-1 (Hexane, 1-butoxy-)

Hexane, 1-butoxy- structure
Hexane, 1-butoxy- structure
Product Name:Hexane, 1-butoxy-
CAS No:54459-71-1
MF:C10H22O
MW:158.281083583832
CID:368428
PubChem ID:108598
Update Time:2025-04-19

Hexane, 1-butoxy- Chemical and Physical Properties

Names and Identifiers

    • Hexane, 1-butoxy-
    • 1-butoxyhexane
    • 1-butoxy-hexane
    • UNII-KQ3EHL2XVN
    • butyl hexyl ether
    • 54459-71-1
    • EINECS 259-172-2
    • SCHEMBL127318
    • 5-oxahendecan
    • KQ3EHL2XVN
    • NS00033091
    • DTXSID9068958
    • Inchi： 1S/C10H22O/c1-3-5-7-8-10-11-9-6-4-2/h3-10H2,1-2H3
    • InChI Key： QCYFOZWGXKXDJA-UHFFFAOYSA-N
    • SMILES： O(CCCC)CCCCCC

Computed Properties

  • Exact Mass: 158.16716
  • Monoisotopic Mass: 158.167065321g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 8
  • Complexity: 61.9
  • 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: 3.7
  • Topological Polar Surface Area: 9.2?2

Experimental Properties

  • PSA: 9.23

Hexane, 1-butoxy- Related Literature

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