CAS 13733-51-2

2-[4-(1,1-Dimethylethyl)cyclohexylidene]acetic acid

Description:

2-[4-(1,1-Dimethylethyl)cyclohexylidene]acetic acid, identified by its CAS number 13733-51-2, is an organic compound characterized by its unique structure, which includes a cyclohexylidene group substituted with a tert-butyl group. This compound features a carboxylic acid functional group, which imparts acidic properties and contributes to its reactivity. The presence of the bulky tert-butyl group influences its steric properties, potentially affecting its solubility and interaction with other molecules. Typically, compounds of this nature may exhibit moderate to low solubility in water, while being more soluble in organic solvents. The cyclohexylidene moiety can provide stability and rigidity to the molecule, which may influence its biological activity and potential applications in pharmaceuticals or agrochemicals. Additionally, the compound's structural characteristics may allow for specific interactions with biological targets, making it of interest in medicinal chemistry. Overall, the unique combination of functional groups and structural features defines its chemical behavior and potential utility in various applications.

Formula: C₁₂H₂₀O₂

InChI: InChI=1S/C12H20O2/c1-12(2,3)10-6-4-9(5-7-10)8-11(13)14/h8,10H,4-7H2,1-3H3,(H,13,14)

InChI key: InChIKey=ZFBQFTSUDMDMDU-UHFFFAOYSA-N

SMILES: C(C)(C)(C)C1CCC(=CC(O)=O)CC1

Synonyms:

• Acetic acid, [4-(1,1-dimethylethyl)cyclohexylidene]-
• Δ1,α-Cyclohexaneacetic acid, 4-tert-butyl-
• 2-[4-(1,1-Dimethylethyl)cyclohexylidene]acetic acid
• Acetic acid, 2-[4-(1,1-dimethylethyl)cyclohexylidene]-
• 2-(4-tert-Butylcyclohexylidene)acetic acid

2-(4-tert-Butylcyclohexylidene)acetic acid

CAS: 13733-51-2

Versatile small molecule scaffold

Formula: C₁₂H₂₀O₂

Purity: Min. 95%

Molecular weight: 196.29 g/mol

Ref: 3D-NAA73351