Cas no 97858-30-5 (1,4-Naphthalenedione,2-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27-heptamethyl-2,6,10,14,18,22,26-octacosaheptaenyl]-3,5(or3,8)-dimethyl- (9CI))

1,4-Naphthalenedione,2-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27-heptamethyl-2,6,10,14,18,22,26-octacosaheptaenyl]-3,5(or3,8)-dimethyl- (9CI) structure
97858-30-5 structure
Product Name:1,4-Naphthalenedione,2-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27-heptamethyl-2,6,10,14,18,22,26-octacosaheptaenyl]-3,5(or3,8)-dimethyl- (9CI)
CAS No:97858-30-5
MF:C47H66O2
MW:663.025754451752
CID:804376
PubChem ID:6444097
Update Time:2025-04-19

1,4-Naphthalenedione,2-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27-heptamethyl-2,6,10,14,18,22,26-octacosaheptaenyl]-3,5(or3,8)-dimethyl- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 1,4-Naphthalenedione,2-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27-heptamethyl-2,6,10,14,18,22,26-octacosaheptaenyl]-3,5(or3,8)-dimethyl- (9CI)
    • 1,4-Naphthalenedione,2-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27-heptamethyl-2,6,10,14,18,22,26-octacosaheptaenyl]-3,5(
    • 2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl]-3,5-dimethylnaphthalene-1,4-dione
    • thermoplasmaquinone
    • TPQ-7 cpd
    • MMK-7
    • 8-methylmenaquinone-7
    • TPQ-7
    • thermoplasmaquinone-7
    • CHEBI:215482
    • 97858-30-5
    • Inchi： 1S/C47H66O2/c1-34(2)18-11-19-35(3)20-12-21-36(4)22-13-23-37(5)24-14-25-38(6)26-15-27-39(7)28-16-29-40(8)32-33-43-42(10)46(48)45-41(9)30-17-31-44(45)47(43)49/h17-18,20,22,24,26,28,30-32H,11-16,19,21,23,25,27,29,33H2,1-10H3/b35-20+,36-22+,37-24+,38-26+,39-28+,40-32+
    • InChI Key： PSTBTGWGIRVMGP-LJWNYQGCSA-N
    • SMILES： O=C1C2C=CC=C(C)C=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)/C)=O

Computed Properties

  • Exact Mass: 662.506281
  • Monoisotopic Mass: 662.506281
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 49
  • Rotatable Bond Count: 20
  • Complexity: 1340
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 6
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 34.1
  • XLogP3: 15.3

Experimental Properties

  • Density: 0.959
  • Boiling Point: 731°Cat760mmHg
  • Flash Point: 258.2°C
  • Refractive Index: 1.531

1,4-Naphthalenedione,2-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27-heptamethyl-2,6,10,14,18,22,26-octacosaheptaenyl]-3,5(or3,8)-dimethyl- (9CI) Related Literature

Related Categories

97858-30-5 (1,4-Naphthalenedione,2-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27-heptamethyl-2,6,10,14,18,22,26-octacosaheptaenyl]-3,5(or3,8)-dimethyl- (9CI)) Related Products

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