Cas no 75017-13-9 (1,2,2-trimethylcyclobutane-1-carboxylic acid)

1,2,2-Trimethylcyclobutane-1-carboxylic acid is a cyclobutane derivative featuring a carboxylic acid functional group and three methyl substituents at the 1,2,2-positions. This compound exhibits a unique sterically hindered structure due to the substitution pattern on the cyclobutane ring, which can influence its reactivity and physicochemical properties. The presence of the carboxylic acid group makes it a versatile intermediate for further chemical modifications, such as esterification or amidation. Its rigid cyclobutane core may contribute to enhanced stability in certain applications, while the methyl groups can impact solubility and lipophilicity. The compound is of interest in synthetic organic chemistry and may serve as a building block for more complex molecular architectures.
1,2,2-trimethylcyclobutane-1-carboxylic acid structure
75017-13-9 structure
Product Name:1,2,2-trimethylcyclobutane-1-carboxylic acid
CAS No:75017-13-9
MF:C8H14O2
MW:142.195562839508
MDL:MFCD19229702
CID:540197
PubChem ID:55299791
Update Time:2025-07-02

1,2,2-trimethylcyclobutane-1-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • Cyclobutanecarboxylic acid, 1,2,2-trimethyl-
    • 1,2,2-trimethylcyclobutane-1-carboxylic acid
    • EN300-25386791
    • AKOS006378696
    • DTXSID70717658
    • 75017-13-9
    • MDL: MFCD19229702
    • Inchi: 1S/C8H14O2/c1-7(2)4-5-8(7,3)6(9)10/h4-5H2,1-3H3,(H,9,10)
    • InChI Key: BOFKRYQEIROFKW-UHFFFAOYSA-N
    • SMILES: OC(C1(C)CCC1(C)C)=O

Computed Properties

  • Exact Mass: 142.099379685g/mol
  • Monoisotopic Mass: 142.099379685g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 172
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2
  • Topological Polar Surface Area: 37.3?2

1,2,2-trimethylcyclobutane-1-carboxylic acid Pricemore >>

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