Cas no 91379-15-6 (1,2-Propanediol,3-[(1E,3E,5E,7E,9E)-1,3,5,7,9-tetradecapentaenyloxy]-, (2S)- (9CI))

1,2-Propanediol,3-[(1E,3E,5E,7E,9E)-1,3,5,7,9-tetradecapentaenyloxy]-, (2S)- (9CI) structure
91379-15-6 structure
Product Name:1,2-Propanediol,3-[(1E,3E,5E,7E,9E)-1,3,5,7,9-tetradecapentaenyloxy]-, (2S)- (9CI)
CAS No:91379-15-6
MF:C17H26O3
MW:278.386545658112
CID:806838
PubChem ID:6437375
Update Time:2025-04-19

1,2-Propanediol,3-[(1E,3E,5E,7E,9E)-1,3,5,7,9-tetradecapentaenyloxy]-, (2S)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 1,2-Propanediol,3-[(1E,3E,5E,7E,9E)-1,3,5,7,9-tetradecapentaenyloxy]-, (2S)- (9CI)
    • (2S)-3-[(1E,3E,5E,7E,9E)-tetradeca-1,3,5,7,9-pentaenoxy]propane-1,2-diol
    • FECAPENTAENE-14
    • (all-E)-3-(1,3,5,7,9-Tetradecapentaenyloxy)-1,2-propanediol
    • 3-(1,3,5,7,9-Tetradecapentaenyloxy)-1,2-propanediol, (S-(all-E))-
    • Q27276599
    • 1,2-Propanediol, 3-((1E,3E,5E,7E,9E)-1,3,5,7,9-tetradecapentaenyloxy)-, (2S)-
    • CCRIS 1650
    • 1,2-Propanediol, 3-(1,3,5,7,9-tetradecapentaenyloxy)-, (all-E)-
    • UNII-DU0IZ4P16O
    • Fecapentaene 14
    • 1,2-PROPANEDIOL, 3-(1,3,5,7,9-TETRADECAPENTAENYLOXY)-, (S-(ALL-E))-
    • DU0IZ4P16O
    • 91379-15-6
    • Inchi： 1S/C17H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-16-17(19)15-18/h5-14,17-19H,2-4,15-16H2,1H3/b6-5+,8-7+,10-9+,12-11+,14-13+/t17-/m0/s1
    • InChI Key： UCSSTHOWGCFAPL-XQICVRGGSA-N
    • SMILES： O(/C=C/C=C/C=C/C=C/C=C/CCCC)C[C@H](CO)O

Computed Properties

  • Exact Mass: 278.188195
  • Monoisotopic Mass: 278.188195
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 11
  • Complexity: 338
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 5
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 49.7
  • XLogP3: 3.8

Experimental Properties

  • Density: 0.997
  • Boiling Point: 464.8°Cat760mmHg
  • Flash Point: 234.9°C
  • PSA: 49.69000
  • LogP: 3.28490

1,2-Propanediol,3-[(1E,3E,5E,7E,9E)-1,3,5,7,9-tetradecapentaenyloxy]-, (2S)- (9CI) Related Literature

Related Categories

91379-15-6 (1,2-Propanediol,3-[(1E,3E,5E,7E,9E)-1,3,5,7,9-tetradecapentaenyloxy]-, (2S)- (9CI)) Related Products

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