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CAS 313051-12-6

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Methyl (7E)-7-[(2R)-2-[6-(4-methylphenyl)hexyl]-5-oxo-3-cyclopenten-1-ylidene]heptanoate

Description:
Methyl (7E)-7-[(2R)-2-[6-(4-methylphenyl)hexyl]-5-oxo-3-cyclopenten-1-ylidene]heptanoate, with CAS number 313051-12-6, is a complex organic compound characterized by its ester functional group, which is typical of methyl esters. This substance features a long carbon chain, indicative of its potential hydrophobic properties, and includes a cyclopentene moiety that contributes to its structural complexity and potential reactivity. The presence of a ketone group (5-oxo) suggests that it may participate in various chemical reactions, such as nucleophilic additions. Additionally, the compound contains a phenyl group, which can influence its solubility and interaction with biological systems. The stereochemistry indicated by the (2R) configuration suggests specific spatial arrangements that may affect its biological activity and interactions. Overall, this compound's unique structure may lend itself to applications in pharmaceuticals, agrochemicals, or as a synthetic intermediate in organic chemistry. However, specific properties such as solubility, melting point, and reactivity would require empirical data for precise characterization.
Formula:C26H36O3
InChI:InChI=1S/C26H36O3/c1-21-15-17-22(18-16-21)11-7-3-4-8-12-23-19-20-25(27)24(23)13-9-5-6-10-14-26(28)29-2/h13,15-20,23H,3-12,14H2,1-2H3/b24-13+/t23-/m1/s1
InChI key:InChIKey=RHQDOVRJBSRATA-HPTBBYBNSA-N
SMILES:C(CCCCCC1=CC=C(C)C=C1)[C@H]2/C(=C\CCCCCC(OC)=O)/C(=O)C=C2
Synonyms:
  • Heptanoic acid, 7-[(2R)-2-[6-(4-methylphenyl)hexyl]-5-oxo-3-cyclopenten-1-ylidene]-, methyl ester, (7E)-
  • NEPP 11
  • Methyl (7E)-7-[(2R)-2-[6-(4-methylphenyl)hexyl]-5-oxo-3-cyclopenten-1-ylidene]heptanoate
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