Cas no 33026-32-3 (Cyclopentanone, 3,3-dimethyl-2-phenyl-)

Cyclopentanone, 3,3-dimethyl-2-phenyl- structure
33026-32-3 structure
Product Name:Cyclopentanone, 3,3-dimethyl-2-phenyl-
CAS No:33026-32-3
MF:C13H16O
MW:188.265543937683
CID:1454974
PubChem ID:15741645
Update Time:2025-04-20

Cyclopentanone, 3,3-dimethyl-2-phenyl- Chemical and Physical Properties

Names and Identifiers

    • Cyclopentanone, 3,3-dimethyl-2-phenyl-
    • 3,3-dimethyl-2-phenylcyclopentan-1-one
    • 33026-32-3
    • DTXSID20577784
    • Inchi: 1S/C13H16O/c1-13(2)9-8-11(14)12(13)10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3
    • InChI Key: WOCLVFFUSFEKIV-UHFFFAOYSA-N
    • SMILES: O=C1CCC(C)(C)C1C1C=CC=CC=1

Computed Properties

  • Exact Mass: 188.12018
  • Monoisotopic Mass: 188.120115130g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 223
  • 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: 2.9
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • PSA: 17.07
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