Cas no 942506-80-1 (1,3,2-Dioxaborolane, 2-[7-(1,1-dimethylethyl)-1-pyrenyl]-4,4,5,5-tetramethyl-)

1,3,2-Dioxaborolane, 2-[7-(1,1-dimethylethyl)-1-pyrenyl]-4,4,5,5-tetramethyl- structure
942506-80-1 structure
Product Name:1,3,2-Dioxaborolane, 2-[7-(1,1-dimethylethyl)-1-pyrenyl]-4,4,5,5-tetramethyl-
CAS No:942506-80-1
MF:C26H29BO2
MW:384.318267583847
CID:4505697
PubChem ID:49765731
Update Time:2025-04-24

1,3,2-Dioxaborolane, 2-[7-(1,1-dimethylethyl)-1-pyrenyl]-4,4,5,5-tetramethyl- Chemical and Physical Properties

Names and Identifiers

    • 1,3,2-Dioxaborolane, 2-[7-(1,1-dimethylethyl)-1-pyrenyl]-4,4,5,5-tetramethyl-
    • 7-tert-butyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrene
    • 1,?3,?2-?Dioxaborolane, 2-?[7-?(1,?1-?dimethylethyl)?-?1-?pyrenyl]?-?4,?4,?5,?5-?tetramethyl-
    • 2-(7-(tert-Butyl)pyren-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
    • 2-[7-(1,1-Dimethylethyl)-1-pyrenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
    • SCHEMBL1984017
    • 942506-80-1
    • Inchi: 1S/C26H29BO2/c1-24(2,3)19-14-17-9-8-16-11-13-21(27-28-25(4,5)26(6,7)29-27)20-12-10-18(15-19)22(17)23(16)20/h8-15H,1-7H3
    • InChI Key: AJGYGTAVSLRVRF-UHFFFAOYSA-N
    • SMILES: O1C(C)(C)C(C)(C)OB1C1=C2C3=C4C(C=C2)=CC(C(C)(C)C)=CC4=CC=C3C=C1

Computed Properties

  • Exact Mass: 384.2260603Da
  • Monoisotopic Mass: 384.2260603Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 2
  • Complexity: 619
  • 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
  • Topological Polar Surface Area: 18.5?2
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