Cas no 16085-05-5 (3,3',5,5'-Tetra-t-butylbiphenol)

3,3',5,5'-Tetra-t-butylbiphenol structure
16085-05-5 structure
Product Name:3,3',5,5'-Tetra-t-butylbiphenol
CAS No:16085-05-5
MF:C28H42O2
MW:410.631888866425
CID:2926198
PubChem ID:22708579
Update Time:2025-04-21

3,3',5,5'-Tetra-t-butylbiphenol Chemical and Physical Properties

Names and Identifiers

    • 4,4',6,6'-Tetra-tert-butyl-[1,1'-biphenyl]-2,2'-diol
    • 3,3',5,5'-tetra-t-butylbiphenol
    • GXGUNEKFCHJBLU-UHFFFAOYSA-N
    • SCHEMBL2172272
    • 16085-05-5
    • 3,3',5,5'-tetra-t-butyl-2,2'-biphenol
    • 3,3',5,5'-Tetra-t-butylbiphenol
    • Inchi: 1S/C28H42O2/c1-25(2,3)17-13-19(27(7,8)9)23(21(29)15-17)24-20(28(10,11)12)14-18(16-22(24)30)26(4,5)6/h13-16,29-30H,1-12H3
    • InChI Key: GXGUNEKFCHJBLU-UHFFFAOYSA-N
    • SMILES: OC1=CC(=CC(=C1C1C(=CC(=CC=1C(C)(C)C)C(C)(C)C)O)C(C)(C)C)C(C)(C)C

Computed Properties

  • Exact Mass: 410.318480578Da
  • Monoisotopic Mass: 410.318480578Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 5
  • Complexity: 513
  • 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: 9.5
  • Topological Polar Surface Area: 40.5?2
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