Cas no 52061-79-7 (Hexanoyl chloride, 2,2-dibutyl-)

Hexanoyl chloride, 2,2-dibutyl- structure
52061-79-7 structure
Product Name:Hexanoyl chloride, 2,2-dibutyl-
CAS No:52061-79-7
MF:C14H27ClO
MW:246.816583871841
CID:360750
PubChem ID:71365828
Update Time:2025-04-19

Hexanoyl chloride, 2,2-dibutyl- Chemical and Physical Properties

Names and Identifiers

    • Hexanoyl chloride, 2,2-dibutyl-
    • 2,2-dibutylhexanoyl chloride
    • 52061-79-7
    • DTXSID10789213
    • Inchi: 1S/C14H27ClO/c1-4-7-10-14(13(15)16,11-8-5-2)12-9-6-3/h4-12H2,1-3H3
    • InChI Key: RKPSPRBQDXXYPM-UHFFFAOYSA-N
    • SMILES: ClC(C(CCCC)(CCCC)CCCC)=O

Computed Properties

  • Exact Mass: 246.17521
  • Monoisotopic Mass: 246.1750432g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 10
  • Complexity: 167
  • 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: 6.5
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • PSA: 17.07
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