Cas no 1605-00-1 (Cyclobutanone, 2,4-dimethyl-, cis-)

Cyclobutanone, 2,4-dimethyl-, cis- structure
1605-00-1 structure
Product Name:Cyclobutanone, 2,4-dimethyl-, cis-
CAS No:1605-00-1
MF:C6H10O
MW:98.1430020332336
CID:1339624
PubChem ID:71353929
Update Time:2025-04-20

Cyclobutanone, 2,4-dimethyl-, cis- Chemical and Physical Properties

Names and Identifiers

    • Cyclobutanone, 2,4-dimethyl-, cis-
    • (2R,4S)-2,4-dimethylcyclobutan-1-one
    • DTXSID50778641
    • 1605-00-1
    • Inchi: 1S/C6H10O/c1-4-3-5(2)6(4)7/h4-5H,3H2,1-2H3/t4-,5+
    • InChI Key: DJYHNXPUOPESJN-SYDPRGILSA-N
    • SMILES: O=C1[C@@H](C)C[C@H]1C

Computed Properties

  • Exact Mass: 98.0732
  • Monoisotopic Mass: 98.073164938g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 0
  • Complexity: 86.4
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.2
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • PSA: 17.07
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