Cas no 60681-10-9 (4,4,6,6-tetramethylcyclohexane-1,3-dione)

4,4,6,6-tetramethylcyclohexane-1,3-dione structure
60681-10-9 structure
Product Name:4,4,6,6-tetramethylcyclohexane-1,3-dione
CAS No:60681-10-9
MF:C10H16O2
MW:168.232843399048
CID:1624984
PubChem ID:143736
Update Time:2025-04-21

4,4,6,6-tetramethylcyclohexane-1,3-dione Chemical and Physical Properties

Names and Identifiers

    • 4,4,6,6-tetramethylcyclohexane-1,3-dione
    • 1,3-Cyclohexanedione, 4,4,6,6-tetramethyl-
    • 1,3-Cyclohexanedione,4,4,6,6-tetramethyl-
    • 60681-10-9
    • SCHEMBL2607982
    • DTXSID60209496
    • Inchi: 1S/C10H16O2/c1-9(2)6-10(3,4)8(12)5-7(9)11/h5-6H2,1-4H3
    • InChI Key: DBUURPWRHIGNLN-UHFFFAOYSA-N
    • SMILES: O=C1CC(C(C)(C)CC1(C)C)=O

Computed Properties

  • Exact Mass: 168.11508
  • Monoisotopic Mass: 168.115029749g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 212
  • 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: 1.8
  • Topological Polar Surface Area: 34.1?2

Experimental Properties

  • PSA: 34.14
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