Cas no 89027-54-3 (Bicyclo[2.2.2]octane, 1-chloro-4-heptyl-)

Bicyclo[2.2.2]octane, 1-chloro-4-heptyl- structure
89027-54-3 structure
Product Name:Bicyclo[2.2.2]octane, 1-chloro-4-heptyl-
CAS No:89027-54-3
MF:C15H27Cl
MW:242.827883958817
CID:615395
PubChem ID:71321585
Update Time:2025-04-19

Bicyclo[2.2.2]octane, 1-chloro-4-heptyl- Chemical and Physical Properties

Names and Identifiers

    • Bicyclo[2.2.2]octane, 1-chloro-4-heptyl-
    • 4-chloro-1-heptylbicyclo[2.2.2]octane
    • 1-CHLORO-4-HEPTYLBICYCLO[2.2.2]OCTANE
    • 89027-54-3
    • DTXSID60751389
    • Inchi: 1S/C15H27Cl/c1-2-3-4-5-6-7-14-8-11-15(16,12-9-14)13-10-14/h2-13H2,1H3
    • InChI Key: SNXWLFMTRWDKLE-UHFFFAOYSA-N
    • SMILES: ClC12CCC(CCCCCCC)(CC1)CC2

Computed Properties

  • Exact Mass: 242.1801286g/mol
  • Monoisotopic Mass: 242.1801286g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 6
  • Complexity: 197
  • 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: 6.3
  • Topological Polar Surface Area: 0?2
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