Cas no 71502-42-6 ((3-Isobutylisoxazol-5-yl)methanol)

(3-Isobutylisoxazol-5-yl)methanol structure
71502-42-6 structure
Product Name:(3-Isobutylisoxazol-5-yl)methanol
CAS No:71502-42-6
MF:C8H13NO2
MW:155.194322347641
MDL:MFCD12028405
CID:548301
PubChem ID:12920234
Update Time:2025-11-04

(3-Isobutylisoxazol-5-yl)methanol Chemical and Physical Properties

Names and Identifiers

    • (3-Isobutylisoxazol-5-yl)methanol
    • 5-Isoxazolemethanol,3-(2-methylpropyl)-
    • 3-Isobutyl-5-hydroxymethylisoxazole
    • 3-Isobutyl-5-isoxazolemethanol
    • PFZOTJPIMHFDHO-UHFFFAOYSA-N
    • AKOS005172454
    • 71502-42-6
    • CS-0326559
    • [3-(2-methylpropyl)-1,2-oxazol-5-yl]methanol
    • 5-Isoxazolemethanol,3-(2-methylpropyl)-(9CI)
    • SCHEMBL5287165
    • LS-03292
    • MFCD12028405
    • DTXSID80513007
    • MDL: MFCD12028405
    • Inchi: 1S/C8H13NO2/c1-6(2)3-7-4-8(5-10)11-9-7/h4,6,10H,3,5H2,1-2H3
    • InChI Key: PFZOTJPIMHFDHO-UHFFFAOYSA-N
    • SMILES: O1C(CO)=CC(CC(C)C)=N1

Computed Properties

  • Exact Mass: 155.09469
  • Monoisotopic Mass: 155.094628657g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 117
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 1.1
  • Topological Polar Surface Area: 46.3?2

Experimental Properties

  • PSA: 46.26
  • LogP: 1.36540

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