Cas no 648409-57-8 (2,7-Octadienoic acid, 6-methyl-, methyl ester, (6S)-)

2,7-Octadienoic acid, 6-methyl-, methyl ester, (6S)- structure
648409-57-8 structure
Product Name:2,7-Octadienoic acid, 6-methyl-, methyl ester, (6S)-
CAS No:648409-57-8
MF:C10H16O2
MW:168.232843399048
CID:415489
PubChem ID:71378562
Update Time:2025-04-19

2,7-Octadienoic acid, 6-methyl-, methyl ester, (6S)- Chemical and Physical Properties

Names and Identifiers

    • 2,7-Octadienoic acid, 6-methyl-, methyl ester, (6S)-
    • methyl (6S)-6-methylocta-2,7-dienoate
    • DTXSID20801172
    • 648409-57-8
    • Inchi: 1S/C10H16O2/c1-4-9(2)7-5-6-8-10(11)12-3/h4,6,8-9H,1,5,7H2,2-3H3/t9-/m1/s1
    • InChI Key: BIHZCAKTDRTKSI-SECBINFHSA-N
    • SMILES: O(C)C(C=CCC[C@@H](C=C)C)=O

Computed Properties

  • Exact Mass: 168.115029749g/mol
  • Monoisotopic Mass: 168.115029749g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 6
  • Complexity: 171
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • XLogP3: 2.8
  • Topological Polar Surface Area: 26.3?2

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