Cas no 25290-13-5 (1-(1-hydroxycyclohexyl)propan-2-one)

1-(1-Hydroxycyclohexyl)propan-2-one is a cyclohexyl-substituted ketone derivative with a hydroxyl functional group, offering unique reactivity and structural versatility in synthetic chemistry. Its hybrid structure, combining a cyclohexanol moiety with a propanone chain, makes it a valuable intermediate for the preparation of complex molecules, particularly in pharmaceuticals and fine chemicals. The hydroxyl group enhances solubility in polar solvents, facilitating reactions under mild conditions, while the ketone functionality provides a reactive site for further derivatization. This compound is particularly useful in asymmetric synthesis and as a building block for cyclization reactions. Its stability under standard conditions ensures consistent performance in laboratory and industrial applications.
1-(1-hydroxycyclohexyl)propan-2-one structure
25290-13-5 structure
Product Name:1-(1-hydroxycyclohexyl)propan-2-one
CAS No:25290-13-5
MF:C9H16O2
MW:156.222143173218
CID:264948
PubChem ID:91383
Update Time:2025-05-27

1-(1-hydroxycyclohexyl)propan-2-one Chemical and Physical Properties

Names and Identifiers

    • 2-Propanone,1-(1-hydroxycyclohexyl)-
    • 1-(1-hydroxycyclohexyl)propan-2-one
    • 1-(1-Hydroxycyclohexyl)acetone
    • 1-Acetonylcyclohexanol
    • SCHEMBL13545394
    • 25290-13-5
    • 2-Propanone, 1-(1-hydroxycyclohexyl)-
    • DTXSID3067075
    • EN300-1622891
    • Inchi: 1S/C9H16O2/c1-8(10)7-9(11)5-3-2-4-6-9/h11H,2-7H2,1H3
    • InChI Key: QOQJUHDVTFSSOU-UHFFFAOYSA-N
    • SMILES: OC1(CC(C)=O)CCCCC1

Computed Properties

  • Exact Mass: 156.11508
  • Monoisotopic Mass: 156.115029749g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 146
  • 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: 1.4
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • PSA: 37.3

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