Cas no 29379-41-7 (Octane, 1-propoxy-)

Octane, 1-propoxy- structure
Octane, 1-propoxy- structure
Product Name:Octane, 1-propoxy-
CAS No:29379-41-7
MF:C11H24O
MW:172.307663917542
CID:237678
PubChem ID:520430
Update Time:2025-04-19

Octane, 1-propoxy- Chemical and Physical Properties

Names and Identifiers

    • Octane, 1-propoxy-
    • 1-propoxyoctane
    • Ether, octyl propyl
    • n-Octyl propyl ether
    • Octyl propyl ether
    • KPFDWNLAMXJSNJ-UHFFFAOYSA-N
    • 29379-41-7
    • SCHEMBL2153214
    • DTXSID50334347
    • Inchi： 1S/C11H24O/c1-3-5-6-7-8-9-11-12-10-4-2/h3-11H2,1-2H3
    • InChI Key： KPFDWNLAMXJSNJ-UHFFFAOYSA-N
    • SMILES： O(CCC)CCCCCCCC

Computed Properties

  • Exact Mass: 172.18282
  • Monoisotopic Mass: 172.182715385g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 9
  • Complexity: 71.4
  • 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: 4.4
  • Topological Polar Surface Area: 9.2?2

Experimental Properties

  • PSA: 9.23

Octane, 1-propoxy- Related Literature

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