Cas no 61685-16-3 (2,6,10-Dodecatrienoic acid, 3-ethyl-7,11-dimethyl-, methyl ester, (E,E)-)

2,6,10-Dodecatrienoic acid, 3-ethyl-7,11-dimethyl-, methyl ester, (E,E)- structure
61685-16-3 structure
Product Name:2,6,10-Dodecatrienoic acid, 3-ethyl-7,11-dimethyl-, methyl ester, (E,E)-
CAS No:61685-16-3
MF:C17H28O2
MW:264.403025627136
CID:470103
PubChem ID:71393397
Update Time:2025-04-19

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

Names and Identifiers

    • 2,6,10-Dodecatrienoic acid, 3-ethyl-7,11-dimethyl-, methyl ester, (E,E)-
    • methyl 3-ethyl-7,11-dimethyldodeca-2,6,10-trienoate
    • 61685-16-3
    • DTXSID10815162
    • Inchi: 1S/C17H28O2/c1-6-16(13-17(18)19-5)12-8-11-15(4)10-7-9-14(2)3/h9,11,13H,6-8,10,12H2,1-5H3
    • InChI Key: VITUFMDFKJSNHZ-UHFFFAOYSA-N
    • SMILES: O(C)C(C=C(CC)CCC=C(C)CC/C=C(\C)/C)=O

Computed Properties

  • Exact Mass: 264.20904
  • Monoisotopic Mass: 264.208930132g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 9
  • Complexity: 356
  • 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: 5.7
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 26.3

2,6,10-Dodecatrienoic acid, 3-ethyl-7,11-dimethyl-, methyl ester, (E,E)- Related Literature

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