Cas no 77744-45-7 (Heptanoic acid,7-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-)

Heptanoic acid,7-[[(1,1-dimethylethyl)dimethylsilyl]oxy]- structure
77744-45-7 structure
Product Name:Heptanoic acid,7-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CAS No:77744-45-7
MF:C13H28O3Si
MW:260.445125579834
CID:550695
PubChem ID:554796
Update Time:2025-04-19

Heptanoic acid,7-[[(1,1-dimethylethyl)dimethylsilyl]oxy]- Chemical and Physical Properties

Names and Identifiers

    • Heptanoic acid,7-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
    • 7-[(tert-Butyldimethylsilyl)oxy]heptanoicacid
    • Heptanoic acid, 7-t-butyldimethylsilyloxy-
    • DTXSID501016318
    • SCHEMBL1930904
    • 7-([tert-Butyl(dimethyl)silyl]oxy)heptanoic acid #
    • 77744-45-7
    • OHJGUCCYCNBSIL-UHFFFAOYSA-N
    • Inchi: 1S/C13H28O3Si/c1-13(2,3)17(4,5)16-11-9-7-6-8-10-12(14)15/h6-11H2,1-5H3,(H,14,15)
    • InChI Key: OHJGUCCYCNBSIL-UHFFFAOYSA-N
    • SMILES: [Si](C)(C)(C(C)(C)C)OCCCCCCC(=O)O

Computed Properties

  • Exact Mass: 260.18084
  • Monoisotopic Mass: 260.18077129g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 9
  • Complexity: 231
  • 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
  • Topological Polar Surface Area: 46.5?2

Experimental Properties

  • PSA: 46.53
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