Cas no 4608-41-7 (2-Methyl-2-(4-methylphenyl)cyclopentan-1-one)

2-Methyl-2-(4-methylphenyl)cyclopentan-1-one structure
4608-41-7 structure
Product Name:2-Methyl-2-(4-methylphenyl)cyclopentan-1-one
CAS No:4608-41-7
MF:C13H16O
MW:188.265543937683
CID:2828186
PubChem ID:12662011
Update Time:2025-04-21

2-Methyl-2-(4-methylphenyl)cyclopentan-1-one Chemical and Physical Properties

Names and Identifiers

    • 2-Methyl-2-(4-methylphenyl)cyclopentan-1-one
    • DTXSID00506052
    • 4608-41-7
    • Inchi: 1S/C13H16O/c1-10-5-7-11(8-6-10)13(2)9-3-4-12(13)14/h5-8H,3-4,9H2,1-2H3
    • InChI Key: TURRILVXKAXEMO-UHFFFAOYSA-N
    • SMILES: O=C1CCCC1(C)C1C=CC(C)=CC=1

Computed Properties

  • Exact Mass: 188.120115130Da
  • Monoisotopic Mass: 188.120115130Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 225
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.8
  • Topological Polar Surface Area: 17.1?2
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