Cas no 86954-77-0 (NISTC86954770)

NISTC86954770 structure
NISTC86954770 structure
Product Name:NISTC86954770
CAS No:86954-77-0
MF:C12H18
MW:162.271323680878
CID:861465
PubChem ID:145118
Update Time:2025-04-19

NISTC86954770 Chemical and Physical Properties

Names and Identifiers

    • DTXSID001007215
    • 5-methyl-1,2,3,4,5,6,7,8-octahydro-1,4-methanonaphthalene
    • 86954-77-0
    • 1,4-Methanonaphthalene, 1,2,3,4,5,6,7,8-octahydro-5-methyl-
    • NISTC86954770
    • Inchi: 1S/C12H18/c1-8-3-2-4-11-9-5-6-10(7-9)12(8)11/h8-10H,2-7H2,1H3
    • InChI Key: OFFBVHGPEBVOQQ-UHFFFAOYSA-N
    • SMILES: C12CCC(C3CCCC(C)C1=3)C2

Computed Properties

  • Exact Mass: 162.140850574g/mol
  • Monoisotopic Mass: 162.140850574g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 236
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.2
  • Topological Polar Surface Area: 0?2
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