Cas no 22607-11-0 (2,5-Dimethyl-3,4-hexanediol)

2,5-Dimethyl-3,4-hexanediol structure
2,5-Dimethyl-3,4-hexanediol structure
Product Name:2,5-Dimethyl-3,4-hexanediol
CAS No:22607-11-0
MF:C8H18O2
MW:146.227323055267
CID:2659780
PubChem ID:552199
Update Time:2024-02-29

2,5-Dimethyl-3,4-hexanediol Chemical and Physical Properties

Names and Identifiers

    • 2,5-dimethylhexane-3,4-diol
    • 2,5-Dimethyl-3,4-hexanediol
    • diisopropylglycol
    • 3,4-Hexanediol, 2,5-dimethyl-
    • UEGKGPFVYRPVCC-UHFFFAOYSA-N
    • meso-2,5-Dimethyl-3,4-hexanediol
    • 2,5-Dimethyl-3,4-hexanediol, meso
    • Inchi: 1S/C8H18O2/c1-5(2)7(9)8(10)6(3)4/h5-10H,1-4H3
    • InChI Key: UEGKGPFVYRPVCC-UHFFFAOYSA-N
    • SMILES: OC(C(C)C)C(C(C)C)O

Computed Properties

  • Exact Mass: 146.130679813g/mol
  • Monoisotopic Mass: 146.130679813g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 3
  • Complexity: 77.3
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 40.5
  • XLogP3: 1.7
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