CAS 898791-45-2

7-(4-tert-butylphenyl)-7-oxo-heptanoic acid

Description:

7-(4-tert-butylphenyl)-7-oxo-heptanoic acid, identified by its CAS number 898791-45-2, is an organic compound characterized by its unique structure that includes a heptanoic acid backbone with a ketone functional group and a tert-butylphenyl substituent. This compound typically exhibits properties associated with both hydrophobic and hydrophilic regions due to its long carbon chain and polar carboxylic acid group. It may display moderate solubility in organic solvents while being less soluble in water. The presence of the bulky tert-butyl group can influence its steric properties, potentially affecting its reactivity and interactions with biological systems. This compound may be of interest in various fields, including pharmaceuticals and materials science, due to its potential applications in drug design or as an intermediate in organic synthesis. Additionally, its structural features may impart specific biological activities, making it a candidate for further research in medicinal chemistry.

Formula: C₁₇H₂₄O₃

InChI: InChI=1/C17H24O3/c1-17(2,3)14-11-9-13(10-12-14)15(18)7-5-4-6-8-16(19)20/h9-12H,4-8H2,1-3H3,(H,19,20)

InChI key: InChIKey=WADGTQNUTOISTD-UHFFFAOYSA-N

SMILES: CC(C)(C)c1ccc(cc1)C(=O)CCCCCC(=O)O