Cas no 55553-86-1 (potassium 3-methylbutan-2-olate)

potassium 3-methylbutan-2-olate structure
55553-86-1 structure
Product Name:potassium 3-methylbutan-2-olate
CAS No:55553-86-1
MF:C5H11KO
MW:126.238542795181
CID:944129
PubChem ID:23689002
Update Time:2025-04-19

potassium 3-methylbutan-2-olate Chemical and Physical Properties

Names and Identifiers

    • potassium 3-methylbutan-2-olate
    • 2-Butanol, 3-methyl-, potassium salt
    • 2-Butanol, 3-methyl-, potassium salt (1:1)
    • 55553-86-1
    • DMERGXDBCIXRCA-UHFFFAOYSA-N
    • NS00088054
    • DTXSID20890844
    • EINECS 259-705-9
    • SCHEMBL3285879
    • Inchi: 1S/C5H11O.K/c1-4(2)5(3)6;/h4-5H,1-3H3;/q-1;+1
    • InChI Key: DMERGXDBCIXRCA-UHFFFAOYSA-N
    • SMILES: [K+].[O-]C(C)C(C)C

Computed Properties

  • Exact Mass: 126.04473
  • Monoisotopic Mass: 126.04469645g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 1
  • Complexity: 37.1
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 23.1?2

Experimental Properties

  • PSA: 23.06
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