CAS 898772-20-8

Hexyl 5-(1,3-dioxolan-2-yl)-2-thiophenecarboxylate

Description:

Hexyl 5-(1,3-dioxolan-2-yl)-2-thiophenecarboxylate is an organic compound characterized by its unique structure, which includes a thiophene ring and a dioxolane moiety. This compound typically exhibits properties associated with esters, such as being a colorless to pale yellow liquid with a pleasant odor. Its molecular structure suggests it may have moderate solubility in organic solvents, while its solubility in water is likely limited due to the hydrophobic thiophene component. The presence of the dioxolane ring may impart some degree of stability and influence its reactivity, particularly in nucleophilic substitution reactions. Additionally, the hexyl group contributes to its hydrophobic characteristics, which can affect its interactions in biological systems and its potential applications in fields such as pharmaceuticals or agrochemicals. As with many organic compounds, safety data should be consulted for handling and usage, as it may pose risks such as skin irritation or environmental hazards.

Formula: C₁₄H₂₀O₄S

InChI: InChI=1S/C14H20O4S/c1-2-3-4-5-8-16-13(15)11-6-7-12(19-11)14-17-9-10-18-14/h6-7,14H,2-5,8-10H2,1H3

InChI key: InChIKey=ATLZBTWRQNEMTM-UHFFFAOYSA-N

SMILES: C(OCCCCCC)(=O)C=1SC(=CC1)C2OCCO2

Synonyms:

• Hexyl 5-(1,3-dioxolan-2-yl)-2-thiophenecarboxylate
• 2-Thiophenecarboxylic acid, 5-(1,3-dioxolan-2-yl)-, hexyl ester