CAS 74233-41-3

3,5,5-Trimethyl-4-(3-oxobutyl)-2-cyclohexen-1-one

Description:

3,5,5-Trimethyl-4-(3-oxobutyl)-2-cyclohexen-1-one is an organic compound characterized by its complex structure, which includes a cyclohexene ring and various functional groups. This compound features a ketone functional group, indicated by the presence of the "3-oxobutyl" moiety, which contributes to its reactivity and potential applications in organic synthesis. The presence of multiple methyl groups enhances its hydrophobic characteristics and may influence its solubility in organic solvents. The compound's structure suggests potential for use in the synthesis of more complex molecules, particularly in the fields of pharmaceuticals and agrochemicals. Additionally, the specific arrangement of substituents around the cyclohexene ring can impart unique stereochemical properties, which may affect its biological activity. As with many organic compounds, safety data should be consulted to understand its handling and potential hazards. Overall, 3,5,5-Trimethyl-4-(3-oxobutyl)-2-cyclohexen-1-one exemplifies the diversity of organic chemistry and the intricate relationships between molecular structure and function.

Formula: C₁₃H₂₀O₂

InChI: InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h7,12H,5-6,8H2,1-4H3

InChI key: InChIKey=GSTVTHMQXVKNQF-UHFFFAOYSA-N

SMILES: CC1(C)C(CCC(C)=O)C(C)=CC(=O)C1

Synonyms:

• 3,5,5-Trimethyl-4-(3-oxobutyl)cyclohex-2-en-1-one
• 3,5,5-Trimethyl-4-(3-oxobutyl)-2-cyclohexen-1-one
• 2-Cyclohexen-1-one, 3,5,5-trimethyl-4-(3-oxobutyl)-