Cas no 500784-64-5 (4,7-Methano-1H-inden-1-one, 2,3-dibutyl-2,3,3a,4,7,7a-hexahydro-)

4,7-Methano-1H-inden-1-one, 2,3-dibutyl-2,3,3a,4,7,7a-hexahydro- structure
500784-64-5 structure
Product Name:4,7-Methano-1H-inden-1-one, 2,3-dibutyl-2,3,3a,4,7,7a-hexahydro-
CAS No:500784-64-5
MF:C18H28O
MW:260.414325714111
CID:1548168
PubChem ID:12480788
Update Time:2025-04-21

4,7-Methano-1H-inden-1-one, 2,3-dibutyl-2,3,3a,4,7,7a-hexahydro- Chemical and Physical Properties

Names and Identifiers

    • 4,7-Methano-1H-inden-1-one, 2,3-dibutyl-2,3,3a,4,7,7a-hexahydro-
    • CTK1G7448
    • 2,3-Dibutyl-2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoinden-1-one
    • 500784-64-5
    • DTXSID80499852
    • Inchi: 1S/C18H28O/c1-3-5-7-14-15(8-6-4-2)18(19)17-13-10-9-12(11-13)16(14)17/h9-10,12-17H,3-8,11H2,1-2H3
    • InChI Key: VXBLBHGIGYNTPM-UHFFFAOYSA-N
    • SMILES: O=C1C(CCCC)C(CCCC)C2C3C=CC(C3)C21

Computed Properties

  • Exact Mass: 260.21414
  • Monoisotopic Mass: 260.214015512g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 6
  • Complexity: 370
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 6
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.5
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • PSA: 17.07
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