Cas no 2406-29-3 (1,3-Cyclohexanedione, 2-ethyl-5,5-dimethyl-)

1,3-Cyclohexanedione, 2-ethyl-5,5-dimethyl- structure
2406-29-3 structure
Product Name:1,3-Cyclohexanedione, 2-ethyl-5,5-dimethyl-
CAS No:2406-29-3
MF:C10H16O2
MW:168.232843399048
CID:1416404
PubChem ID:11275236
Update Time:2025-04-20

1,3-Cyclohexanedione, 2-ethyl-5,5-dimethyl- Chemical and Physical Properties

Names and Identifiers

    • 1,3-Cyclohexanedione, 2-ethyl-5,5-dimethyl-
    • 2-ethyl-5,5-dimethylcyclohexane-1,3-dione
    • 2406-29-3
    • DTXSID60460808
    • SCHEMBL5612700
    • Inchi: 1S/C10H16O2/c1-4-7-8(11)5-10(2,3)6-9(7)12/h7H,4-6H2,1-3H3
    • InChI Key: GOSMSPNTUUZKBY-UHFFFAOYSA-N
    • SMILES: O=C1C(CC)C(CC(C)(C)C1)=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: 1
  • Complexity: 196
  • 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: 1.7
  • Topological Polar Surface Area: 34.1?2

Experimental Properties

  • PSA: 34.14
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