Cas no 1097920-69-8 (4-benzyl 9-(tert-butyl) 1-oxa-4,9-diazaspiro[5.5]undecane-4,9-dicarboxylate)

4-benzyl 9-(tert-butyl) 1-oxa-4,9-diazaspiro[5.5]undecane-4,9-dicarboxylate structure
1097920-69-8 structure
Product Name:4-benzyl 9-(tert-butyl) 1-oxa-4,9-diazaspiro[5.5]undecane-4,9-dicarboxylate
CAS No:1097920-69-8
MF:C21H30N2O5
MW:390.5
CID:5530631
PubChem ID:57482687
Update Time:2024-11-06

4-benzyl 9-(tert-butyl) 1-oxa-4,9-diazaspiro[5.5]undecane-4,9-dicarboxylate Chemical and Physical Properties

Names and Identifiers

    • 4-benzyl 9-(tert-butyl) 1-oxa-4,9-diazaspiro[5.5]undecane-4,9-dicarboxylate
    • DTXSID901121515
    • 1097920-69-8
    • DB-138332
    • UEENZZVDDQAVEG-UHFFFAOYSA-N
    • 9-(1,1-Dimethylethyl) 4-(phenylmethyl) 1-oxa-4,9-diazaspiro[5.5]undecane-4,9-dicarboxylate
    • 4-O-benzyl 9-O-tert-butyl 1-oxa-4,9-diazaspiro[5.5]undecane-4,9-dicarboxylate
    • 4-benzyl 9-tert-butyl 1-oxa-4,9-diazaspiro[5.5]undecane-4,9-dicarboxylate
    • 1-Oxa-4,9-diazaspiro[5.5]undecane-4,9-dicarboxylic acid, 9-(1,1-dimethylethyl) 4-(phenylmethyl) ester
    • SCHEMBL2821181
    • Inchi: 1S/C21H30N2O5/c1-20(2,3)28-19(25)22-11-9-21(10-12-22)16-23(13-14-27-21)18(24)26-15-17-7-5-4-6-8-17/h4-8H,9-16H2,1-3H3
    • InChI Key: UEENZZVDDQAVEG-UHFFFAOYSA-N
    • SMILES: O1C2(CCN(C(OC(C)(C)C)=O)CC2)CN(C(OCC2=CC=CC=C2)=O)CC1

Computed Properties

  • Exact Mass: 390.21547206g/mol
  • Monoisotopic Mass: 390.21547206g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 5
  • Complexity: 546
  • 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: 2.5
  • Topological Polar Surface Area: 68.3?2

4-benzyl 9-(tert-butyl) 1-oxa-4,9-diazaspiro[5.5]undecane-4,9-dicarboxylate Related Literature

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