Cas no 89422-09-3 (2,5-Methano-2H-indeno[1,2-b]oxirene, octahydro-1a,5-dimethyl-)

2,5-Methano-2H-indeno[1,2-b]oxirene, octahydro-1a,5-dimethyl- structure
89422-09-3 structure
Product Name:2,5-Methano-2H-indeno[1,2-b]oxirene, octahydro-1a,5-dimethyl-
CAS No:89422-09-3
MF:C12H18O
MW:178.270723819733
CID:601496
PubChem ID:71324099
Update Time:2025-04-19

2,5-Methano-2H-indeno[1,2-b]oxirene, octahydro-1a,5-dimethyl- Chemical and Physical Properties

Names and Identifiers

    • 2,5-Methano-2H-indeno[1,2-b]oxirene, octahydro-1a,5-dimethyl-
    • DTXSID80753608
    • 1a,5-Dimethyloctahydro-1aH-2,5-methanoindeno[1,2-b]oxirene
    • 89422-09-3
    • Inchi: 1S/C12H18O/c1-11-4-3-7(6-11)10-8(11)5-9-12(10,2)13-9/h7-10H,3-6H2,1-2H3
    • InChI Key: ZMIMKRWPOZQRKQ-UHFFFAOYSA-N
    • SMILES: O1C2CC3C4(C)CCC(C4)C3C12C

Computed Properties

  • Exact Mass: 178.135765193g/mol
  • Monoisotopic Mass: 178.135765193g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 287
  • 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: 2.9
  • Topological Polar Surface Area: 12.5?2
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