Cas no 103562-92-1 (1-Pentanone, 1-(2-butylphenyl)-)

1-Pentanone, 1-(2-butylphenyl)- structure
103562-92-1 structure
Product Name:1-Pentanone, 1-(2-butylphenyl)-
CAS No:103562-92-1
MF:C15H22O
MW:218.334584712982
CID:1141483
PubChem ID:13662286
Update Time:2025-04-20

1-Pentanone, 1-(2-butylphenyl)- Chemical and Physical Properties

Names and Identifiers

    • 1-Pentanone, 1-(2-butylphenyl)-
    • 1-(2-butylphenyl)pentan-1-one
    • 103562-92-1
    • DTXSID90546088
    • Inchi： 1S/C15H22O/c1-3-5-9-13-10-7-8-11-14(13)15(16)12-6-4-2/h7-8,10-11H,3-6,9,12H2,1-2H3
    • InChI Key： PDNBUSGGLLBEEY-UHFFFAOYSA-N
    • SMILES： O=C(CCCC)C1C=CC=CC=1CCCC

Computed Properties

  • Exact Mass: 218.16716
  • Monoisotopic Mass: 218.167065321g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 7
  • Complexity: 198
  • 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: 4.9
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • PSA: 17.07

1-Pentanone, 1-(2-butylphenyl)- Related Literature

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