Cas no 88926-11-8 ([1,1'-Bicyclohexyl]-3,5-dione, 2',2',6'-trimethyl-4-(1-oxobutyl)-)

[1,1'-Bicyclohexyl]-3,5-dione, 2',2',6'-trimethyl-4-(1-oxobutyl)- structure
88926-11-8 structure
Product Name:[1,1'-Bicyclohexyl]-3,5-dione, 2',2',6'-trimethyl-4-(1-oxobutyl)-
CAS No:88926-11-8
MF:C19H30O3
MW:306.439706325531
CID:619595
PubChem ID:71320666
Update Time:2025-04-19

[1,1'-Bicyclohexyl]-3,5-dione, 2',2',6'-trimethyl-4-(1-oxobutyl)- Chemical and Physical Properties

Names and Identifiers

    • [1,1'-Bicyclohexyl]-3,5-dione, 2',2',6'-trimethyl-4-(1-oxobutyl)-
    • 2-butanoyl-5-(2,2,6-trimethylcyclohexyl)cyclohexane-1,3-dione
    • DTXSID70750560
    • 4-Butanoyl-2',2',6'-trimethyl[1,1'-bi(cyclohexane)]-3,5-dione
    • 88926-11-8
    • Inchi： 1S/C19H30O3/c1-5-7-14(20)17-15(21)10-13(11-16(17)22)18-12(2)8-6-9-19(18,3)4/h12-13,17-18H,5-11H2,1-4H3
    • InChI Key： ZIIYCBGGULPSIA-UHFFFAOYSA-N
    • SMILES： O=C1C(C(CCC)=O)C(CC(C1)C1C(C)CCCC1(C)C)=O

Computed Properties

  • Exact Mass: 306.21949481g/mol
  • Monoisotopic Mass: 306.21949481g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 4
  • Complexity: 445
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.3
  • Topological Polar Surface Area: 51.2?2

[1,1'-Bicyclohexyl]-3,5-dione, 2',2',6'-trimethyl-4-(1-oxobutyl)- Related Literature

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