Cas no 5450-53-3 (4-[3,5-bis(2,2-dimethylpropyl)-4-oxocyclohexa-2,5-dien-1-ylidene]-2,6-bis(2,2-dimethylpropyl)cyclohexa-2,5-dien-1-one)

4-[3,5-bis(2,2-dimethylpropyl)-4-oxocyclohexa-2,5-dien-1-ylidene]-2,6-bis(2,2-dimethylpropyl)cyclohexa-2,5-dien-1-one structure
5450-53-3 structure
Product Name:4-[3,5-bis(2,2-dimethylpropyl)-4-oxocyclohexa-2,5-dien-1-ylidene]-2,6-bis(2,2-dimethylpropyl)cyclohexa-2,5-dien-1-one
CAS No:5450-53-3
MF:C32H48O2
MW:464.722330093384
CID:941629
PubChem ID:225285
Update Time:2025-04-19

4-[3,5-bis(2,2-dimethylpropyl)-4-oxocyclohexa-2,5-dien-1-ylidene]-2,6-bis(2,2-dimethylpropyl)cyclohexa-2,5-dien-1-one Chemical and Physical Properties

Names and Identifiers

    • 4-[3,5-bis(2,2-dimethylpropyl)-4-oxocyclohexa-2,5-dien-1-ylidene]-2,6-bis(2,2-dimethylpropyl)cyclohexa-2,5-dien-1-one
    • 3,3',5,5'-tetrakis(2,2-dimethylpropyl)-1,1'-bi(cyclohexa-2,5-dien-1-ylidene)-4,4'-dione
    • 3,5,3',5'-Tetrakis-(2,2-dimethyl-propyl)-bicyclohexylidene-2,5,2',5'-tetraene-4,4'-dione
    • AC1L5DXD
    • AC1Q692A
    • AR-1E8413
    • CTK5A1347
    • NSC14481
    • NSC-14481
    • 4-[3,5-bis(2,2-dimethylpropyl)-4-oxo-cyclohexa-2,5-dien-1-ylidene]-2,6-bis(2,2-dimethylpropyl)cyclohexa-2,5-dien-1-one
    • V9J29GVA7Q
    • NSC 14481
    • 4-[3,5-Bis(2,2-dimethylpropyl)-4-oxo-2,5-cyclohexadien-1-ylidene]-2,6-bis(2,2-dimethylpropyl)-2,5-cyclohexadien-1-one
    • [Bi-2,5-cyclohexadien-1-ylidene]-4,4'-dione, 3,3',5,5'-tetraneopentyl-
    • 2,5-Cyclohexadien-1-one, 4-[3,5-bis(2,2-dimethylpropyl)-4-oxo-2,5-cyclohexadien-1-ylidene]-2,6-bis(2,2-dimethylpropyl)-
    • DTXSID90202910
    • 5450-53-3
    • Inchi： 1S/C32H48O2/c1-29(2,3)17-23-13-21(14-24(27(23)33)18-30(4,5)6)22-15-25(19-31(7,8)9)28(34)26(16-22)20-32(10,11)12/h13-16H,17-20H2,1-12H3
    • InChI Key： HQZKZUYIGKIWDZ-UHFFFAOYSA-N
    • SMILES： O=C1C(=C/C(/C=C1CC(C)(C)C)=C1/C=C(C(C(=C/1)CC(C)(C)C)=O)CC(C)(C)C)CC(C)(C)C

Computed Properties

  • Exact Mass: 464.36564
  • Monoisotopic Mass: 464.365
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 8
  • Complexity: 833
  • 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: 9.2
  • Topological Polar Surface Area: 34.1?2

Experimental Properties

  • Density: 0.963
  • Boiling Point: 551.4°C at 760 mmHg
  • Flash Point: 202.1°C
  • Refractive Index: 1.51
  • PSA: 34.14
  • LogP: 8.89880

4-[3,5-bis(2,2-dimethylpropyl)-4-oxocyclohexa-2,5-dien-1-ylidene]-2,6-bis(2,2-dimethylpropyl)cyclohexa-2,5-dien-1-one Related Literature

5450-53-3 (4-[3,5-bis(2,2-dimethylpropyl)-4-oxocyclohexa-2,5-dien-1-ylidene]-2,6-bis(2,2-dimethylpropyl)cyclohexa-2,5-dien-1-one) Related Products

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