Cas no 34294-05-8 (Methylenediboviquinone-3,3)

Methylenediboviquinone-3,3 structure
Methylenediboviquinone-3,3 structure
Product Name:Methylenediboviquinone-3,3
CAS No:34294-05-8
MF:C43O8
MW:644.455310821533
CID:2013811
Update Time:2025-04-21

Methylenediboviquinone-3,3 Chemical and Physical Properties

Names and Identifiers

    • Methylenediboviquinone-3,3
    • Inchi： 1S/C43O8/c1-26(2)13-9-15-28(5)17-11-19-30(7)21-23-32-36(44)40(48)34(41(49)37(32)45)25-35-42(50)38(46)33(39(47)43(35)51)24-22-31(8)20-12-18-29(6)16-10-14-27(3)4
    • InChI Key： CKTSASVUFIEAIO-UHFFFAOYSA-N
    • SMILES： [C]/C(=[C]/[C][C]C(=[C][C][C]C(=[C][C]C1C(=O)C([O])=C([C]C2C(=O)C([O])=C([C][C]=C([C][C][C]=C([C][C]/[C]=C(\[C])/[C])[C])[C])C(=O)C=2[O])C(=O)C=1[O])[C])[C])/[C] |^1:0,2,6,10,16,23,26,30,34,36,37,38,39,43,47,48,49,50,^4:3,4,7,8,11,18,25,28,29,32,33|

Computed Properties

  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 51
  • XLogP3: 11.113

Methylenediboviquinone-3,3 Related Literature

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