CAS 736136-13-3

trans-4-(4-Ethylbenzoyl)cyclohexanecarboxylic acid

Description:

Trans-4-(4-Ethylbenzoyl)cyclohexanecarboxylic acid is an organic compound characterized by its cyclohexane ring structure substituted with both a carboxylic acid group and an ethylbenzoyl moiety. This compound features a trans configuration, indicating that the substituents are positioned on opposite sides of the cyclohexane ring, which can influence its physical and chemical properties, such as melting point and solubility. The presence of the carboxylic acid group contributes to its acidity and potential for hydrogen bonding, while the ethylbenzoyl group adds to its hydrophobic character and may affect its reactivity and interactions with other molecules. This compound may be of interest in various fields, including pharmaceuticals and materials science, due to its unique structural features. Its specific applications and behavior in chemical reactions would depend on the context of use, including solvent interactions and potential biological activity. As with many organic compounds, safety and handling precautions should be observed when working with this substance.

Formula: C₁₆H₂₀O₃

InChI: InChI=1/C16H20O3/c1-2-11-3-5-12(6-4-11)15(17)13-7-9-14(10-8-13)16(18)19/h3-6,13-14H,2,7-10H2,1H3,(H,18,19)/t13-,14-

InChI key: InChIKey=OJFCKQWPLJQIMO-HDJSIYSDNA-N

SMILES: C(=O)([C@H]1CC[C@H](C(O)=O)CC1)C2=CC=C(CC)C=C2

Synonyms:

• Cyclohexanecarboxylic acid, 4-(4-ethylbenzoyl)-, trans-
• trans-4-(4-Ethylbenzoyl)cyclohexanecarboxylic acid