Cas no 38495-02-2 (Pentanoic acid, 2,2,3,4-tetramethyl-)

Pentanoic acid, 2,2,3,4-tetramethyl- structure
38495-02-2 structure
Product Name:Pentanoic acid, 2,2,3,4-tetramethyl-
CAS No:38495-02-2
MF:C9H18O2
MW:158.238023281097
CID:1489878
PubChem ID:15564209
Update Time:2025-04-21

Pentanoic acid, 2,2,3,4-tetramethyl- Chemical and Physical Properties

Names and Identifiers

    • Pentanoic acid, 2,2,3,4-tetramethyl-
    • 2,2,3,4-tetramethylpentanoic acid
    • 2,2,3,4-tetramethylvaleric acid
    • NPMHELYJLOUPIZ-UHFFFAOYSA-N
    • 38495-02-2
    • SCHEMBL284728
    • DTXSID00574317
    • Inchi： 1S/C9H18O2/c1-6(2)7(3)9(4,5)8(10)11/h6-7H,1-5H3,(H,10,11)
    • InChI Key： NPMHELYJLOUPIZ-UHFFFAOYSA-N
    • SMILES： OC(C(C)(C)C(C)C(C)C)=O

Computed Properties

  • Exact Mass: 158.13074
  • Monoisotopic Mass: 158.130679813g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 148
  • 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: 2.8
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • PSA: 37.3

Pentanoic acid, 2,2,3,4-tetramethyl- Related Literature

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