Cas no 61187-91-5 (Cyclopentanone, 2,4,4-trimethyl-2-(phenylmethyl)-)

Cyclopentanone, 2,4,4-trimethyl-2-(phenylmethyl)- structure
61187-91-5 structure
Product Name:Cyclopentanone, 2,4,4-trimethyl-2-(phenylmethyl)-
CAS No:61187-91-5
MF:C15H20O
MW:216.318704605103
CID:489258
PubChem ID:71398478
Update Time:2025-04-19

Cyclopentanone, 2,4,4-trimethyl-2-(phenylmethyl)- Chemical and Physical Properties

Names and Identifiers

    • Cyclopentanone, 2,4,4-trimethyl-2-(phenylmethyl)-
    • 2-benzyl-2,4,4-trimethylcyclopentan-1-one
    • DTXSID90819901
    • 61187-91-5
    • Inchi： 1S/C15H20O/c1-14(2)10-13(16)15(3,11-14)9-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3
    • InChI Key： NTBZMOUYBLQJSU-UHFFFAOYSA-N
    • SMILES： O=C1CC(C)(C)CC1(C)CC1C=CC=CC=1

Computed Properties

  • Exact Mass: 216.1515
  • Monoisotopic Mass: 216.151415257g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 273
  • 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: 3.6
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • PSA: 17.07

Cyclopentanone, 2,4,4-trimethyl-2-(phenylmethyl)- Related Literature

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