Cas no 60142-94-1 (2-[1-(2-methoxy-2-oxo-ethyl)cyclohexyl]acetic acid)

2-[1-(2-Methoxy-2-oxo-ethyl)cyclohexyl]acetic acid is a cyclohexyl-based carboxylic acid derivative featuring a methoxycarbonylmethyl substituent. This compound is of interest in synthetic organic chemistry due to its bifunctional structure, which includes both a carboxylic acid and an ester group, enabling versatile reactivity in multi-step syntheses. The cyclohexyl backbone contributes to steric stability, while the functional groups allow for further derivatization, making it a valuable intermediate in pharmaceutical and agrochemical applications. Its well-defined structure ensures consistent performance in reactions such as esterifications, amidations, or cyclizations. The compound is typically handled under standard laboratory conditions, with purity and stability being key considerations for reproducible results.
2-[1-(2-methoxy-2-oxo-ethyl)cyclohexyl]acetic acid structure
60142-94-1 structure
Product Name:2-[1-(2-methoxy-2-oxo-ethyl)cyclohexyl]acetic acid
CAS No:60142-94-1
MF:C11H18O4
MW:214.258224010468
CID:57521
PubChem ID:11572043
Update Time:2025-05-28

2-[1-(2-methoxy-2-oxo-ethyl)cyclohexyl]acetic acid Chemical and Physical Properties

Names and Identifiers

    • 1,1-Cyclohexanediacetic acid mono methyl ester
    • 2-[1-(2-methoxy-2-oxoethyl)cyclohexyl]acetic acid
    • 1,1-Cyclohexanediaceticacid,1-methyl ester
    • 1-Methoxycarbonylmethylcyclohexylacetic acid
    • Cyclohexylidendi-essigsaeure-monomethylester
    • cyclohexylidenedi-acetic acid monomethyl ester
    • I04-1367
    • monomethyl 1,1-cyclohexane-diacetate
    • 1,1-Cyclohexanediaceticacid, methyl ester (7CI)
    • 1,1-Cyclohexanediacetic acid, monomethyl ester (9CI)
    • 2-[1-(2-methoxy-2-oxo-ethyl)cyclohexyl]acetic acid
    • DTXSID00468762
    • 60142-94-1
    • FT-0713688
    • VLFQWYHVTAGEQB-UHFFFAOYSA-N
    • 1,1-Cyclohexanediaceticacidmonomethylester
    • AKOS005216047
    • starbld0018410
    • SCHEMBL4691068
    • 2-(1-(2-Methoxy-2-oxoethyl)cyclohexyl)acetic acid
    • 1,1-Cyclohexanediacetic acid monomethyl ester
    • Inchi: 1S/C11H18O4/c1-15-10(14)8-11(7-9(12)13)5-3-2-4-6-11/h2-8H2,1H3,(H,12,13)
    • InChI Key: VLFQWYHVTAGEQB-UHFFFAOYSA-N
    • SMILES: O(C)C(CC1(CC(=O)O)CCCCC1)=O

Computed Properties

  • Exact Mass: 214.12100
  • Monoisotopic Mass: 214.12050905g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 5
  • Complexity: 241
  • 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: 2.1
  • Topological Polar Surface Area: 63.6?2

Experimental Properties

  • PSA: 63.60000
  • LogP: 1.97470

2-[1-(2-methoxy-2-oxo-ethyl)cyclohexyl]acetic acid Pricemore >>

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