Cas no 14128-61-1 (5-methyl-5-phenylhexan-2-one)

5-methyl-5-phenylhexan-2-one structure
5-methyl-5-phenylhexan-2-one structure
Product Name:5-methyl-5-phenylhexan-2-one
CAS No:14128-61-1
MF:C13H18O
MW:190.281424045563
CID:221568
PubChem ID:26474
Update Time:2025-04-19

5-methyl-5-phenylhexan-2-one Chemical and Physical Properties

Names and Identifiers

    • 2-Hexanone,5-methyl-5-phenyl-
    • 5-Methyl-5-phenyl-2-hexanone
    • 5-methyl-5-phenylhexan-2-one
    • 5-phenyl-5-methyl-2-hexanone
    • IFKGKEYWZPTXEY-UHFFFAOYSA-N
    • 2-Hexanone, 5-methyl-5-phenyl-
    • EN300-1877428
    • 5-Methyl-5-phenyl-2-hexanone #
    • SCHEMBL16369386
    • 14128-61-1
    • DTXSID60161621
    • Inchi: 1S/C13H18O/c1-11(14)9-10-13(2,3)12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3
    • InChI Key: IFKGKEYWZPTXEY-UHFFFAOYSA-N
    • SMILES: O=C(C)CCC(C)(C)C1C=CC=CC=1

Computed Properties

  • Exact Mass: 190.13584
  • Monoisotopic Mass: 190.135765193g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 187
  • 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
  • XLogP3: 3.1
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • PSA: 17.07

5-methyl-5-phenylhexan-2-one Pricemore >>

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