CAS 898755-70-9

5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-[4-(1,1-dimethylethyl)phenyl]-1-pentanone

Description:

5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-[4-(1,1-dimethylethyl)phenyl]-1-pentanone, with the CAS number 898755-70-9, is an organic compound characterized by its complex structure, which includes a dioxane ring and a ketone functional group. This compound features a pentanone backbone, indicating the presence of a five-carbon chain with a ketone at one end. The dioxane moiety contributes to its stability and solubility properties, while the bulky tert-butyl group attached to the phenyl ring enhances its steric hindrance, potentially influencing its reactivity and interactions in various chemical environments. The presence of multiple functional groups suggests that this compound may exhibit interesting chemical behavior, making it suitable for applications in organic synthesis, pharmaceuticals, or as a specialty chemical. Its specific properties, such as boiling point, melting point, and solubility, would depend on the molecular interactions and the overall structure, which can be further explored through experimental characterization or computational modeling.

Formula: C₂₁H₃₂O₃

InChI: InChI=1S/C21H32O3/c1-20(2,3)17-12-10-16(11-13-17)18(22)8-6-7-9-19-23-14-21(4,5)15-24-19/h10-13,19H,6-9,14-15H2,1-5H3

InChI key: InChIKey=RGVQNINKLZTDLX-UHFFFAOYSA-N

SMILES: C(CCCCC1OCC(C)(C)CO1)(=O)C2=CC=C(C(C)(C)C)C=C2

Synonyms:

• 1-Pentanone, 5-(5,5-dimethyl-1,3-dioxan-2-yl)-1-[4-(1,1-dimethylethyl)phenyl]-
• 5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-[4-(1,1-dimethylethyl)phenyl]-1-pentanone