Cas no 958026-98-7 (tert-butyl (4E)-4-(2-ethoxy-2-oxoethylidene)-3,3-dimethylpiperidine-1-carboxylate)

tert-butyl (4E)-4-(2-ethoxy-2-oxoethylidene)-3,3-dimethylpiperidine-1-carboxylate structure
958026-98-7 structure
Product Name:tert-butyl (4E)-4-(2-ethoxy-2-oxoethylidene)-3,3-dimethylpiperidine-1-carboxylate
CAS No:958026-98-7
MF:C16H27NO4
MW:297.389885187149
MDL:MFCD27987024
CID:2094222
PubChem ID:68521328
Update Time:2025-04-21

tert-butyl (4E)-4-(2-ethoxy-2-oxoethylidene)-3,3-dimethylpiperidine-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • (E)-tert-Butyl 4-(2-ethoxy-2-oxoethylidene)-3,3-dimethylpiperidine-1-carboxylate
    • 1-Boc-4-(2-ethoxy-2-oxoethylidene)-3,3-dimethylpiperidine
    • tert-butyl (4E)-4-(2-ethoxy-2-oxoethylidene)-3,3-dimethylpiperidine-1-carboxylate
    • CS-0048521
    • MFCD27987024
    • AKOS025290970
    • KYIWNEHNGQWVBP-ZRDIBKRKSA-N
    • SCHEMBL3126731
    • (E)-tert-butyl 4-{(ethoxycarbonyl)methylene}-3,3-dimethylpiperidine-1-carboxylate
    • 1-Boc-4-(2-ethoxy-2-oxoethylidene)-3,3-dimethylpiperidine, AldrichCPR
    • 958026-98-7
    • AS-34001
    • (E)-tert-Butyl4-(2-ethoxy-2-oxoethylidene)-3,3-dimethylpiperidine-1-carboxylate
    • tert-Butyl (4E)-4-(2-ethoxy-2-oxo-ethylidene)-3,3-dimethyl-piperidine-1-carboxylate
    • MDL: MFCD27987024
    • Inchi: 1S/C16H27NO4/c1-7-20-13(18)10-12-8-9-17(11-16(12,5)6)14(19)21-15(2,3)4/h10H,7-9,11H2,1-6H3/b12-10+
    • InChI Key: KYIWNEHNGQWVBP-ZRDIBKRKSA-N
    • SMILES: O(C(C)(C)C)C(N1CC/C(=C\C(=O)OCC)/C(C)(C)C1)=O

Computed Properties

  • Exact Mass: 297.19400834Da
  • Monoisotopic Mass: 297.19400834Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 5
  • Complexity: 432
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.6
  • Topological Polar Surface Area: 55.8?2

tert-butyl (4E)-4-(2-ethoxy-2-oxoethylidene)-3,3-dimethylpiperidine-1-carboxylate Pricemore >>

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