Cas no 29571-64-0 (Butanoyl chloride, 3-methyl-2-(1-methylethyl)-)

Butanoyl chloride, 3-methyl-2-(1-methylethyl)- structure
29571-64-0 structure
Product Name:Butanoyl chloride, 3-methyl-2-(1-methylethyl)-
CAS No:29571-64-0
MF:C8H15ClO
MW:162.657101869583
CID:1440078
PubChem ID:5325505
Update Time:2025-04-20

Butanoyl chloride, 3-methyl-2-(1-methylethyl)- Chemical and Physical Properties

Names and Identifiers

    • Butanoyl chloride, 3-methyl-2-(1-methylethyl)-
    • 2-isopropyl-3-methylbutanoyl chloride
    • 2-isopropyl-3-methyl-butyryl chloride
    • 29571-64-0
    • DA-07245
    • RYQCKXJIWPFZNI-UHFFFAOYSA-N
    • 2-isopropyl-3-methylbutyryl chloride
    • InChI=1/C8H15ClO/c1-5(2)7(6(3)4)8(9)10/h5-7H,1-4H
    • SCHEMBL4904062
    • 2-Isopropyl-3-methyl-butyrylchloride
    • 2-isopropylisovaleryl chloride
    • Inchi: 1S/C8H15ClO/c1-5(2)7(6(3)4)8(9)10/h5-7H,1-4H3
    • InChI Key: RYQCKXJIWPFZNI-UHFFFAOYSA-N
    • SMILES: ClC(C(C(C)C)C(C)C)=O

Computed Properties

  • Exact Mass: 162.08125
  • Monoisotopic Mass: 162.0811428g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 3
  • Complexity: 110
  • 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: 3.4
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • PSA: 17.07
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