Cas no 61187-80-2 (5H-Inden-5-one, 1,2,3,6,7,7a-hexahydro-2,2,4,7a-tetramethyl-)

5H-Inden-5-one, 1,2,3,6,7,7a-hexahydro-2,2,4,7a-tetramethyl- structure
61187-80-2 structure
Product Name:5H-Inden-5-one, 1,2,3,6,7,7a-hexahydro-2,2,4,7a-tetramethyl-
CAS No:61187-80-2
MF:C13H20O
MW:192.297304153442
CID:489267
PubChem ID:71398484
Update Time:2025-04-19

5H-Inden-5-one, 1,2,3,6,7,7a-hexahydro-2,2,4,7a-tetramethyl- Chemical and Physical Properties

Names and Identifiers

    • 5H-Inden-5-one, 1,2,3,6,7,7a-hexahydro-2,2,4,7a-tetramethyl-
    • 2,2,4,7a-tetramethyl-1,3,6,7-tetrahydroinden-5-one
    • 2,2,4,7a-Tetramethyl-1,2,3,6,7,7a-hexahydro-5H-inden-5-one
    • DTXSID50819907
    • 61187-80-2
    • Inchi： 1S/C13H20O/c1-9-10-7-12(2,3)8-13(10,4)6-5-11(9)14/h5-8H2,1-4H3
    • InChI Key： BDESRPSLQVAQLJ-UHFFFAOYSA-N
    • SMILES： O=C1CCC2(C)C(=C1C)CC(C)(C)C2

Computed Properties

  • Exact Mass: 192.1515
  • Monoisotopic Mass: 192.151415257g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 0
  • Complexity: 322
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.9
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • PSA: 17.07

5H-Inden-5-one, 1,2,3,6,7,7a-hexahydro-2,2,4,7a-tetramethyl- Related Literature

61187-80-2 (5H-Inden-5-one, 1,2,3,6,7,7a-hexahydro-2,2,4,7a-tetramethyl-) Related Products

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