Cas no 380886-48-6 ((S)-tert-butyl 2-acetoxy-3-methylbutanoate)

(S)-tert-butyl 2-acetoxy-3-methylbutanoate structure
380886-48-6 structure
Product Name:(S)-tert-butyl 2-acetoxy-3-methylbutanoate
CAS No:380886-48-6
MF:C11H20O4
MW:216.274104118347
CID:835536
PubChem ID:15511556
Update Time:2025-04-19

(S)-tert-butyl 2-acetoxy-3-methylbutanoate Chemical and Physical Properties

Names and Identifiers

    • (S)-tert-butyl 2-acetoxy-3-methylbutanoate
    • 2-Methyl-2-propanyl (2S)-2-acetoxy-3-methylbutanoate
    • 380886-48-6
    • (S)-tert-butyl2-acetoxy-3-methylbutanoate
    • CS-M0404
    • tert-butyl (2S)-2-acetyloxy-3-methylbutanoate
    • DB-248113
    • AKOS037650104
    • TERT-BUTYL (2S)-2-(ACETYLOXY)-3-METHYLBUTANOATE
    • CS-14280
    • Inchi: 1S/C11H20O4/c1-7(2)9(14-8(3)12)10(13)15-11(4,5)6/h7,9H,1-6H3/t9-/m0/s1
    • InChI Key: MCHRBOFYIGYFPP-VIFPVBQESA-N
    • SMILES: O(C([C@H](C(C)C)OC(C)=O)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 216.1362
  • Monoisotopic Mass: 216.13615911g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 6
  • Complexity: 238
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.4
  • Topological Polar Surface Area: 52.6?2

Experimental Properties

  • PSA: 52.6

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