CAS 114687-51-3

4,6-Octadiyne-2,3-diol, 1-chloro-8-(3-heptyloxiranyl)-

Description:

4,6-Octadiyne-2,3-diol, 1-chloro-8-(3-heptyloxiranyl)- is a complex organic compound characterized by its unique structure, which includes a long carbon chain and multiple functional groups. The presence of a diol (two hydroxyl groups) suggests it has the ability to engage in hydrogen bonding, which can influence its solubility and reactivity. The alkyne functional groups (triple bonds) contribute to its reactivity, making it a potential candidate for various chemical reactions, including polymerization and cross-linking. The chloro substituent indicates that the compound may exhibit different reactivity patterns compared to its non-chlorinated counterparts, potentially participating in nucleophilic substitution reactions. Additionally, the presence of an epoxide (the oxirane ring from the heptyloxiranyl group) suggests that it may have interesting properties related to ring-opening reactions. Overall, this compound's structure implies a range of potential applications in organic synthesis, materials science, and possibly medicinal chemistry, depending on its specific reactivity and interactions with other chemical species.

Formula: C₁₇H₂₅ClO₃

InChI: InChI=1S/C17H25ClO3/c1-2-3-4-5-8-11-16-17(21-16)12-9-6-7-10-14(19)15(20)13-18/h14-17,19-20H,2-5,8,11-13H2,1H3

InChI key: InChIKey=BPRJTLAULHNDLP-UHFFFAOYSA-N

SMILES: C(C#CC#CC(C(CCl)O)O)C1C(CCCCCCC)O1

Synonyms:

• Chloropanaxydiol
• 4,6-Octadiyne-2,3-diol, 1-chloro-8-(3-heptyloxiranyl)-
• 1-Chloro-8-(3-heptyloxiran-2-yl)octa-4,6-diyne-2,3-diol

4,6-Octadiyne-2,3-diol, 1-chloro-8-(3-heptyloxiranyl)- (9CI)

CAS: 114687-51-3

Formula: C₁₇H₂₅ClO₃

Molecular weight: 312.8316

Ref: IN-DA000F1J