CAS 87953-16-0

(4E)-5-chloro-2-(1-methylethyl)pent-4-enoic acid

Description:

(4E)-5-chloro-2-(1-methylethyl)pent-4-enoic acid, with the CAS number 87953-16-0, is an organic compound characterized by its unique structural features. It contains a pentenoic acid backbone, which includes a double bond between the fourth and fifth carbon atoms, and a chlorine substituent at the fifth position. The presence of the isopropyl group at the second carbon contributes to its hydrophobic characteristics, while the carboxylic acid functional group at one end of the molecule imparts acidic properties. This compound is likely to exhibit moderate solubility in polar solvents due to the carboxylic acid group, while its hydrophobic isopropyl group may limit solubility in water. The geometric configuration (E) indicates that the highest priority substituents on either side of the double bond are on opposite sides, influencing its reactivity and potential interactions in chemical reactions. Overall, this compound may have applications in organic synthesis and could serve as an intermediate in the production of various chemical products.

Formula: C₈H₁₃ClO₂

InChI: InChI=1/C8H13ClO2/c1-6(2)7(8(10)11)4-3-5-9/h3,5-7H,4H2,1-2H3,(H,10,11)/b5-3+

InChI key: NOPVMHYFCPFLOH-HWKANZROSA-N

SMILES: CC(C)C(C/C=C/Cl)C(=O)O

Synonyms:

• 4-Pentenoic acid, 5-chloro-2-(1-methylethyl)-, (4E)-
• (E)-5-chloro-2-isopropylpent-4-enoic acid