Cas no 24810-69-3 (Nonanedioic acid, 2-acetyl-, 1-(1,1-dimethylethyl) 9-ethyl ester)

Nonanedioic acid, 2-acetyl-, 1-(1,1-dimethylethyl) 9-ethyl ester structure
24810-69-3 structure
Product Name:Nonanedioic acid, 2-acetyl-, 1-(1,1-dimethylethyl) 9-ethyl ester
CAS No:24810-69-3
MF:C17H30O5
MW:314.417106151581
CID:1419014
PubChem ID:20322209
Update Time:2025-04-20

Nonanedioic acid, 2-acetyl-, 1-(1,1-dimethylethyl) 9-ethyl ester Chemical and Physical Properties

Names and Identifiers

    • Nonanedioic acid, 2-acetyl-, 1-(1,1-dimethylethyl) 9-ethyl ester
    • ethyl 8-tert-butoxycarbonyl-9-oxodecanoate
    • DB-091550
    • SCHEMBL5094619
    • 24810-69-3
    • Inchi: 1S/C17H30O5/c1-6-21-15(19)12-10-8-7-9-11-14(13(2)18)16(20)22-17(3,4)5/h14H,6-12H2,1-5H3
    • InChI Key: KTUYBXTVCBCFKQ-UHFFFAOYSA-N
    • SMILES: O(C(C(C(C)=O)CCCCCCC(=O)OCC)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 314.2094
  • Monoisotopic Mass: 314.20932405g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 13
  • Complexity: 368
  • 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: 3.5
  • Topological Polar Surface Area: 69.7?2

Experimental Properties

  • PSA: 69.67
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