Cas no 106115-47-3 (Cyclopentanone, 2,5-bis[(4-methylphenyl)methylene]-, (E,E)-)

Cyclopentanone, 2,5-bis[(4-methylphenyl)methylene]-, (E,E)- structure
106115-47-3 structure
Product Name:Cyclopentanone, 2,5-bis[(4-methylphenyl)methylene]-, (E,E)-
CAS No:106115-47-3
MF:C21H20O
MW:288.382905960083
CID:1172144
PubChem ID:5291033
Update Time:2025-04-20

Cyclopentanone, 2,5-bis[(4-methylphenyl)methylene]-, (E,E)- Chemical and Physical Properties

Names and Identifiers

    • Cyclopentanone, 2,5-bis[(4-methylphenyl)methylene]-, (E,E)-
    • 2,5-bis[(4-methylphenyl)methylidene]cyclopentan-1-one
    • CHEMBL3104696
    • AKOS000575987
    • (2E,5E)-2,5-bis(4-methylbenzylidene)cyclopentanone
    • (2E,5E)-2,5-bis[(4-methylphenyl)methylidene]cyclopentan-1-one
    • 2,5-Bis-(4-methyl-benzylidene)-cyclopentanone
    • STK762024
    • BDBM50445460
    • 2,5-Bis(4-methylbenzylidene)cyclopentanone
    • 106115-47-3
    • SCHEMBL14017013
    • MDL: MFCD00405189
    • Inchi: 1S/C21H20O/c1-15-3-7-17(8-4-15)13-19-11-12-20(21(19)22)14-18-9-5-16(2)6-10-18/h3-10,13-14H,11-12H2,1-2H3/b19-13+,20-14+
    • InChI Key: IXIITVGWLWCRQL-IWGRKNQJSA-N
    • SMILES: O=C1/C(=C/C2C=CC(C)=CC=2)/CC/C/1=C\C1C=CC(C)=CC=1

Computed Properties

  • Exact Mass: 288.1515
  • Monoisotopic Mass: 288.151415257g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 2
  • Complexity: 412
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.2
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • PSA: 17.07
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