Cas no 2138044-45-6 (4-Tert-butyl-3-propylcyclohexan-1-one)

4-Tert-butyl-3-propylcyclohexan-1-one structure
2138044-45-6 structure
Product Name:4-Tert-butyl-3-propylcyclohexan-1-one
CAS No:2138044-45-6
MF:C13H24O
MW:196.329064369202
CID:5775681
PubChem ID:165496404
Update Time:2023-12-26

4-Tert-butyl-3-propylcyclohexan-1-one Chemical and Physical Properties

Names and Identifiers

    • 2138044-45-6
    • EN300-1156773
    • 4-tert-butyl-3-propylcyclohexan-1-one
    • 4-Tert-butyl-3-propylcyclohexan-1-one
    • Inchi: 1S/C13H24O/c1-5-6-10-9-11(14)7-8-12(10)13(2,3)4/h10,12H,5-9H2,1-4H3
    • InChI Key: QWOCXLZFHAQFQG-UHFFFAOYSA-N
    • SMILES: O=C1CCC(C(C)(C)C)C(CCC)C1

Computed Properties

  • Exact Mass: 196.182715385g/mol
  • Monoisotopic Mass: 196.182715385g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 200
  • 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: 3.9
  • Topological Polar Surface Area: 17.1?2

4-Tert-butyl-3-propylcyclohexan-1-one Pricemore >>

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