Cas no 89129-63-5 ([1,1'-Bicyclohexyl]-2,3',6-trione, 2'-acetyl-5',5'-dimethyl-)

[1,1'-Bicyclohexyl]-2,3',6-trione, 2'-acetyl-5',5'-dimethyl- structure
89129-63-5 structure
Product Name:[1,1'-Bicyclohexyl]-2,3',6-trione, 2'-acetyl-5',5'-dimethyl-
CAS No:89129-63-5
MF:C16H22O4
MW:278.343485355377
CID:611424
PubChem ID:13180967
Update Time:2025-04-19

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

Names and Identifiers

    • [1,1'-Bicyclohexyl]-2,3',6-trione, 2'-acetyl-5',5'-dimethyl-
    • 2-(2-acetyl-5,5-dimethyl-3-oxocyclohexyl)cyclohexane-1,3-dione
    • 89129-63-5
    • DTXSID80525165
    • 2'-Acetyl-5',5'-dimethyl[1,1'-bi(cyclohexane)]-2,3',6-trione
    • Inchi： 1S/C16H22O4/c1-9(17)14-10(7-16(2,3)8-13(14)20)15-11(18)5-4-6-12(15)19/h10,14-15H,4-8H2,1-3H3
    • InChI Key： GBQZYIZNPUDGCB-UHFFFAOYSA-N
    • SMILES： O=C1CC(C)(C)CC(C2C(CCCC2=O)=O)C1C(C)=O

Computed Properties

  • Exact Mass: 278.15180918g/mol
  • Monoisotopic Mass: 278.15180918g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 2
  • Complexity: 459
  • 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: 1.4
  • Topological Polar Surface Area: 68.3?2

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

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