CAS 78995-99-0

1-Cyclohexene-3,3-d2-1-methanol, 6,6-dimethyl-2-(methyl-d3)-

Description:

1-Cyclohexene-3,3-d2-1-methanol, 6,6-dimethyl-2-(methyl-d3)-, with the CAS number 78995-99-0, is a deuterated organic compound characterized by its cyclohexene structure, which includes a methanol functional group and additional methyl groups. The presence of deuterium atoms (d2 and d3) indicates that this compound is isotopically labeled, which can be useful in various applications such as NMR spectroscopy and tracer studies in chemical research. The compound is likely to exhibit properties typical of cyclohexene derivatives, including a relatively low boiling point and moderate polarity due to the hydroxyl group. Its structure suggests potential reactivity in organic synthesis, particularly in reactions involving alkenes and alcohols. Additionally, the presence of multiple methyl groups may influence steric hindrance and electronic effects, impacting its reactivity and interactions with other chemical species. Overall, this compound serves as a valuable tool in both synthetic chemistry and analytical applications.

Formula: C₁₀H₁₃D₅O

InChI: InChI=1S/C10H18O/c1-8-5-4-6-10(2,3)9(8)7-11/h11H,4-7H2,1-3H3/i1D3,5D2

InChI key: InChIKey=QWNGCDQJLXENDZ-RPIBLTHZSA-N

SMILES: C(O)C=1C(C)(C)CCC(C1C([2H])([2H])[2H])([2H])[2H]

Synonyms:

• 1-Cyclohexene-3,3-d2-1-methanol, 6,6-dimethyl-2-(methyl-d3)-
• [3,3-Dideuterio-6,6-dimethyl-2-(trideuteriomethyl)cyclohexen-1-yl]methanol