Cas no 89129-64-6 ([1,1'-Bicyclohexyl]-2,3',6-trione, 2'-acetyl-4,4,5',5'-tetramethyl-)

[1,1'-Bicyclohexyl]-2,3',6-trione, 2'-acetyl-4,4,5',5'-tetramethyl- structure
89129-64-6 structure
Product Name:[1,1'-Bicyclohexyl]-2,3',6-trione, 2'-acetyl-4,4,5',5'-tetramethyl-
CAS No:89129-64-6
MF:C18H26O4
MW:306.396646022797
CID:611423
PubChem ID:13180969
Update Time:2025-04-19

[1,1'-Bicyclohexyl]-2,3',6-trione, 2'-acetyl-4,4,5',5'-tetramethyl- Chemical and Physical Properties

Names and Identifiers

    • [1,1'-Bicyclohexyl]-2,3',6-trione, 2'-acetyl-4,4,5',5'-tetramethyl-
    • 2-(2-acetyl-5,5-dimethyl-3-oxocyclohexyl)-5,5-dimethylcyclohexane-1,3-dione
    • DTXSID00525167
    • 89129-64-6
    • 2'-Acetyl-4,4,5',5'-tetramethyl[1,1'-bi(cyclohexane)]-2,3',6-trione
    • Inchi： 1S/C18H26O4/c1-10(19)15-11(6-17(2,3)7-12(15)20)16-13(21)8-18(4,5)9-14(16)22/h11,15-16H,6-9H2,1-5H3
    • InChI Key： FAUUNYKVVJHVOB-UHFFFAOYSA-N
    • SMILES： O=C1CC(C)(C)CC(C1C(C)=O)C1C(CC(C)(C)CC1=O)=O

Computed Properties

  • Exact Mass: 306.18310931g/mol
  • Monoisotopic Mass: 306.18310931g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 2
  • Complexity: 521
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.2
  • Topological Polar Surface Area: 68.3?2

[1,1'-Bicyclohexyl]-2,3',6-trione, 2'-acetyl-4,4,5',5'-tetramethyl- Related Literature

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