Cas no 10052-12-7 (Cyclohexanone, 4-(3-methylbutyl)-)

Cyclohexanone, 4-(3-methylbutyl)- structure
10052-12-7 structure
Product Name:Cyclohexanone, 4-(3-methylbutyl)-
CAS No:10052-12-7
MF:C11H20O
MW:168.275903701782
CID:1128151
Update Time:2024-07-27

Cyclohexanone, 4-(3-methylbutyl)- Chemical and Physical Properties

Names and Identifiers

    • Cyclohexanone, 4-(3-methylbutyl)-
    • Inchi： 1S/C11H20O/c1-9(2)3-4-10-5-7-11(12)8-6-10/h9-10H,3-8H2,1-2H3
    • InChI Key： BPUBMURFUMRSSA-UHFFFAOYSA-N
    • SMILES： C1(=O)CCC(CCC(C)C)CC1

Computed Properties

  • Exact Mass: 168.151415g/mol
  • Monoisotopic Mass: 168.151415g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 139
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Molecular Weight: 168.28g/mol
  • XLogP3: 3.1
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • Density: 0.883±0.06 g/cm3(Predicted)
  • Boiling Point: 227.2±8.0 °C(Predicted)

Cyclohexanone, 4-(3-methylbutyl)- Related Literature

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