Cas no 53663-29-9 (2-Methyldodec-2-enoic acid)

2-Methyldodec-2-enoic acid structure
2-Methyldodec-2-enoic acid structure
Product Name:2-Methyldodec-2-enoic acid
CAS No:53663-29-9
MF:C13H24O2
MW:212.328464508057
CID:938913
Update Time:2023-08-02

2-Methyldodec-2-enoic acid Chemical and Physical Properties

Names and Identifiers

    • trans-2-methyl-2-dodecenoicacid
    • 2-methyldodec-2-enoic acid
    • (E)-2-Methyl-2-dodecenoic Acid
    • (E)-2-methyldodec-2-enoic acid
    • 2-methyl-dodec-2-enoic acid
    • 2-Methyl-dodec-2-ensaeure
    • 2-methyl-dodec-2t-enoic acid
    • 2-Methyl-dodec-2t-ensaeure
    • 2-Methyldodec-2-enoic acid
    • Inchi: 1S/C13H24O2/c1-3-4-5-6-7-8-9-10-11-12(2)13(14)15/h11H,3-10H2,1-2H3,(H,14,15)
    • InChI Key: JVAKNQLSBYBCSZ-UHFFFAOYSA-N
    • SMILES: OC(C(C)=CCCCCCCCCC)=O

Computed Properties

  • Exact Mass: 212.178
  • Monoisotopic Mass: 212.178
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 9
  • Complexity: 195
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • Topological Polar Surface Area: 37.3

Experimental Properties

  • PSA: 37.30000
  • LogP: 4.15800
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