Cas no 357154-31-5 (Cyclobutanemethanol, 2-methyl-, (1S,2R)-)

Cyclobutanemethanol, 2-methyl-, (1S,2R)- structure
357154-31-5 structure
Product Name:Cyclobutanemethanol, 2-methyl-, (1S,2R)-
CAS No:357154-31-5
MF:C6H12O
MW:100.158882141113
CID:1472289
PubChem ID:94854293
Update Time:2025-04-20

Cyclobutanemethanol, 2-methyl-, (1S,2R)- Chemical and Physical Properties

Names and Identifiers

    • Cyclobutanemethanol, 2-methyl-, (1S,2R)-
    • EN300-37332324
    • 357154-31-5
    • rac-[(1R,2S)-2-methylcyclobutyl]methanol
    • Inchi： 1S/C6H12O/c1-5-2-3-6(5)4-7/h5-7H,2-4H2,1H3/t5-,6-/m1/s1
    • InChI Key： XKJMEEWZNIOOBO-PHDIDXHHSA-N
    • SMILES： OC[C@H]1CC[C@H]1C

Computed Properties

  • Exact Mass: 100.08886
  • Monoisotopic Mass: 100.088815002g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 1
  • Complexity: 61.2
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.3
  • Topological Polar Surface Area: 20.2?2

Experimental Properties

  • PSA: 20.23

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