Cas no 827038-33-5 (2,6,10-Dodecatrienoic acid, 6,10-dimethyl-12-(4-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl)-2-(4-methyl-3-penten-1-yl)-, (2E,6E,10E)-)

2,6,10-Dodecatrienoic acid, 6,10-dimethyl-12-(4-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl)-2-(4-methyl-3-penten-1-yl)-, (2E,6E,10E)- structure
827038-33-5 structure
Product Name:2,6,10-Dodecatrienoic acid, 6,10-dimethyl-12-(4-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl)-2-(4-methyl-3-penten-1-yl)-, (2E,6E,10E)-
CAS No:827038-33-5
MF:C27H36O4
MW:424.573356061282
CID:686010
Update Time:2024-03-01

2,6,10-Dodecatrienoic acid, 6,10-dimethyl-12-(4-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl)-2-(4-methyl-3-penten-1-yl)-, (2E,6E,10E)- Chemical and Physical Properties

Names and Identifiers

    • 2,6,10-Dodecatrienoic acid,6,10-dimethyl-12-(4-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl)-2-(4-methyl-3-pentenyl)-, (2E,6E,10E)-
    • 2,6,10-Dodecatrienoic acid, 6,10-dimethyl-12-(4-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl)-2-(4-methyl-3-penten-1-yl)-, (2E,6E,10E)-
    • chabrolobenzoquinone C
    • Chabrolobenzoquinone A
    • 827038-35-7
    • Inchi: 1S/C27H36O4/c1-19(2)9-6-13-23(27(30)31)14-8-12-20(3)10-7-11-21(4)15-16-24-18-25(28)22(5)17-26(24)29/h9-10,14-15,17-18H,6-8,11-13,16H2,1-5H3,(H,30,31)/b20-10+,21-15+,23-14+
    • InChI Key: MMLRYQXCAKDHJW-PIIINLNPSA-N
    • SMILES: C(O)(=O)/C(/CC/C=C(\C)/C)=C/CC/C(/C)=C/CC/C(/C)=C/CC1C(=O)C=C(C)C(=O)C=1

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 31
  • XLogP3: 5.587
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