Cas no 106347-62-0 (1,4-Naphthalenedione, 2-methyl-3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E,42E,46E,50E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55-tetradecamethyl-2,6,10,14,18,22,26,30,34,38,42,46,50,54-hexapentacontatetradecaen-1-yl]-)

1,4-Naphthalenedione, 2-methyl-3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E,42E,46E,50E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55-tetradecamethyl-2,6,10,14,18,22,26,30,34,38,42,46,50,54-hexapentacontatetradecaen-1-yl]- structure
106347-62-0 structure
Product Name:1,4-Naphthalenedione, 2-methyl-3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E,42E,46E,50E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55-tetradecamethyl-2,6,10,14,18,22,26,30,34,38,42,46,50,54-hexapentacontatetradecaen-1-yl]-
CAS No:106347-62-0
MF:C81H120O2
MW:1125.81832504272
CID:166527
Update Time:2023-11-19

1,4-Naphthalenedione, 2-methyl-3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E,42E,46E,50E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55-tetradecamethyl-2,6,10,14,18,22,26,30,34,38,42,46,50,54-hexapentacontatetradecaen-1-yl]- Chemical and Physical Properties

Names and Identifiers

    • 1,4-Naphthalenedione,2-methyl-3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E,42E,46E,50E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55-tetradecamethyl-2,6,10,14,18,22,26,30,34,38,42,46,50,54-hexapentacontatetradecaenyl]-(9CI)
    • 1,4-Naphthalenedione,2-methyl-3-(3,7,11,15,19,23,27,31,35,39,43,47,51,55-tetradecamethyl-2,6,10,14,18,22,26,30,34,38,42,46,50,54-hexapentacontatetradecaenyl)-,(all-E)-
    • Menaquinone 14
    • CID 101282288
    • 1,4-Naphthalenedione, 2-methyl-3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E,42E,46E,50E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55-tetradecamethyl-2,6,10,14,18,22,26,30,34,38,42,46,50,54-hexapentacontatetradecaen-1-yl]-
    • Inchi： 1S/C81H120O2/c1-62(2)32-19-33-63(3)34-20-35-64(4)36-21-37-65(5)38-22-39-66(6)40-23-41-67(7)42-24-43-68(8)44-25-45-69(9)46-26-47-70(10)48-27-49-71(11)50-28-51-72(12)52-29-53-73(13)54-30-55-74(14)56-31-57-75(15)60-61-77-76(16)80(82)78-58-17-18-59-79(78)81(77)83/h17-18,32,34,36,38,40,42,44,46,48,50,52,54,56,58-60H,19-31,33,35,37,39,41,43,45,47,49,51,53,55,57,61H2,1-16H3/b63-34+,64-36+,65-38+,66-40+,67-42+,68-44+,69-46+,70-48+,71-50+,72-52+,73-54+,74-56+,75-60+
    • InChI Key： VUVJNZPKZRUSLP-ROEUMQOHSA-N
    • SMILES： O=C1C2C=CC=CC=2C(C(C)=C1C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C)=O

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 83
  • Rotatable Bond Count: 41
  • Complexity: 2460
  • XLogP3: 27.5
  • Topological Polar Surface Area: 34.1

Experimental Properties

  • Density: 0.933±0.06 g/cm3(Predicted)
  • Boiling Point: 999.2±65.0 °C(Predicted)

1,4-Naphthalenedione, 2-methyl-3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E,42E,46E,50E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55-tetradecamethyl-2,6,10,14,18,22,26,30,34,38,42,46,50,54-hexapentacontatetradecaen-1-yl]- Related Literature

106347-62-0 (1,4-Naphthalenedione, 2-methyl-3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E,42E,46E,50E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55-tetradecamethyl-2,6,10,14,18,22,26,30,34,38,42,46,50,54-hexapentacontatetradecaen-1-yl]-) Related Products

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