Cas no 62435-77-2 (2,3-Naphthalenedione, 1,4,5,8-tetrakis(1,1-dimethylethyl)-)

2,3-Naphthalenedione, 1,4,5,8-tetrakis(1,1-dimethylethyl)- structure
62435-77-2 structure
Product Name:2,3-Naphthalenedione, 1,4,5,8-tetrakis(1,1-dimethylethyl)-
CAS No:62435-77-2
MF:C26H38O2
MW:382.578728199005
CID:444891
PubChem ID:21481800
Update Time:2025-04-19

2,3-Naphthalenedione, 1,4,5,8-tetrakis(1,1-dimethylethyl)- Chemical and Physical Properties

Names and Identifiers

    • 2,3-Naphthalenedione, 1,4,5,8-tetrakis(1,1-dimethylethyl)-
    • 1,4,5,8-tetratert-butylnaphthalene-2,3-dione
    • SCHEMBL11674194
    • 1,4,5,8-Tetra-tert-butylnaphthalene-2,3-dione
    • DTXSID50614494
    • PBCBYUHNDYLDMZ-UHFFFAOYSA-N
    • 62435-77-2
    • 1,4,5,8-tetra-t-butyl-2,3-dihydronaphthalene-2,3-dione
    • Inchi: 1S/C26H38O2/c1-23(2,3)15-13-14-16(24(4,5)6)18-17(15)19(25(7,8)9)21(27)22(28)20(18)26(10,11)12/h13-14H,1-12H3
    • InChI Key: PBCBYUHNDYLDMZ-UHFFFAOYSA-N
    • SMILES: O=C1C(C(C(C)(C)C)=C2C(=CC=C(C(C)(C)C)C2=C1C(C)(C)C)C(C)(C)C)=O

Computed Properties

  • Exact Mass: 382.28734
  • Monoisotopic Mass: 382.287180451g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 4
  • Complexity: 781
  • 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: 6.6
  • Topological Polar Surface Area: 34.1?2

Experimental Properties

  • PSA: 34.14

2,3-Naphthalenedione, 1,4,5,8-tetrakis(1,1-dimethylethyl)- Related Literature

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