Cas no 25330-53-4 ([1,1'-Bicyclohexyl]-1-aceticacid)

[1,1'-Bicyclohexyl]-1-aceticacid structure
25330-53-4 structure
Product Name:[1,1'-Bicyclohexyl]-1-aceticacid
CAS No:25330-53-4
MF:C14H24O2
MW:224.339164733887
CID:265397
PubChem ID:18417859
Update Time:2025-04-19

[1,1'-Bicyclohexyl]-1-aceticacid Chemical and Physical Properties

Names and Identifiers

    • [1,1'-Bicyclohexyl]-1-aceticacid
    • Cyclohexaneaceticacid, 1-cyclohexyl-
    • 2-(1-cyclohexylcyclohexyl)acetic acid
    • 25330-53-4
    • DTXSID00593588
    • 2-([1,1'-Bi(cyclohexan)]-1-yl)acetic acid
    • SCHEMBL7638598
    • [[1,1'-Bi(cyclohexane)]-1-yl]acetic acid
    • Inchi: 1S/C14H24O2/c15-13(16)11-14(9-5-2-6-10-14)12-7-3-1-4-8-12/h12H,1-11H2,(H,15,16)
    • InChI Key: YRBKQUVAMSPGJB-UHFFFAOYSA-N
    • SMILES: OC(CC1(CCCCC1)C1CCCCC1)=O

Computed Properties

  • Exact Mass: 224.17772
  • Monoisotopic Mass: 224.177630004g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 235
  • 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: 5.1
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • PSA: 37.3
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