Cas no 61685-15-2 (2,6,10-Dodecatrienoic acid, 3,7-diethyl-11-methyl-, methyl ester, (E,E)-)

2,6,10-Dodecatrienoic acid, 3,7-diethyl-11-methyl-, methyl ester, (E,E)- structure
61685-15-2 structure
Product Name:2,6,10-Dodecatrienoic acid, 3,7-diethyl-11-methyl-, methyl ester, (E,E)-
CAS No:61685-15-2
MF:C18H30O2
MW:278.429605960846
CID:470104
PubChem ID:71393398
Update Time:2025-04-19

2,6,10-Dodecatrienoic acid, 3,7-diethyl-11-methyl-, methyl ester, (E,E)- Chemical and Physical Properties

Names and Identifiers

    • 2,6,10-Dodecatrienoic acid, 3,7-diethyl-11-methyl-, methyl ester, (E,E)-
    • methyl 3,7-diethyl-11-methyldodeca-2,6,10-trienoate
    • DTXSID70815163
    • 61685-15-2
    • Inchi: 1S/C18H30O2/c1-6-16(11-8-10-15(3)4)12-9-13-17(7-2)14-18(19)20-5/h10,12,14H,6-9,11,13H2,1-5H3
    • InChI Key: YDQFZSOJOLXHRB-UHFFFAOYSA-N
    • SMILES: O(C)C(C=C(CC)CCC=C(CC)CC/C=C(\C)/C)=O

Computed Properties

  • Exact Mass: 278.2247
  • Monoisotopic Mass: 278.224580195g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 10
  • Complexity: 369
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 2
  • XLogP3: 6.1
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 26.3
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