Cas no 515178-90-2 (Cyclohexanone, 2-[[(1R,2R)-2-ethylcyclopropyl]methyl]-6-hydroxy-3,3-dimethyl-, (2S,6R)- (9CI))

Cyclohexanone, 2-[[(1R,2R)-2-ethylcyclopropyl]methyl]-6-hydroxy-3,3-dimethyl-, (2S,6R)- (9CI) structure
515178-90-2 structure
Product Name:Cyclohexanone, 2-[[(1R,2R)-2-ethylcyclopropyl]methyl]-6-hydroxy-3,3-dimethyl-, (2S,6R)- (9CI)
CAS No:515178-90-2
MF:C14H24O2
MW:224.339164733887
CID:935487
PubChem ID:11458764
Update Time:2025-04-19

Cyclohexanone, 2-[[(1R,2R)-2-ethylcyclopropyl]methyl]-6-hydroxy-3,3-dimethyl-, (2S,6R)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Cyclohexanone, 2-[[(1R,2R)-2-ethylcyclopropyl]methyl]-6-hydroxy-3,3-dimethyl-, (2S,6R)- (9CI)
    • (2S,6R)-2-[[(1R,2R)-2-ethylcyclopropyl]methyl]-6-hydroxy-3,3-dimethylcyclohexan-1-one
    • 515178-90-2
    • DTXSID40466540
    • DB-246942
    • (2S,6R)-2-{[(1R,2R)-2-Ethylcyclopropyl]methyl}-6-hydroxy-3,3-dimethylcyclohexan-1-one
    • (2S,6r)-2-{[(1r,2r)-2-ethylcyclopropyl]methyl}-6-hydroxy-3,3-dimethylcyclohexanone
    • Inchi： 1S/C14H24O2/c1-4-9-7-10(9)8-11-13(16)12(15)5-6-14(11,2)3/h9-12,15H,4-8H2,1-3H3/t9-,10-,11-,12-/m1/s1
    • InChI Key： NDKURADNEKTRBB-DDHJBXDOSA-N
    • SMILES： O=C1[C@@H](CCC(C)(C)[C@@H]1C[C@H]1C[C@H]1CC)O

Computed Properties

  • Exact Mass: 224.177630004g/mol
  • 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: 283
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.3
  • Topological Polar Surface Area: 37.3?2

Cyclohexanone, 2-[[(1R,2R)-2-ethylcyclopropyl]methyl]-6-hydroxy-3,3-dimethyl-, (2S,6R)- (9CI) Related Literature

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