CAS 78629-21-7

(2E)-1-Bromo-6,6-dimethyl-2-hepten-4-yne

Description:

(2E)-1-Bromo-6,6-dimethyl-2-hepten-4-yne is an organic compound characterized by its unique structure, which includes a bromine atom, multiple methyl groups, and a triple bond. This compound features a heptene backbone, indicating it has seven carbon atoms with a double bond located at the second position, while the presence of a triple bond at the fourth position contributes to its alkyne classification. The "E" configuration denotes the trans arrangement of substituents around the double bond, which can influence its reactivity and physical properties. The bromine atom introduces a halogen functionality, making the compound more reactive and potentially useful in various synthetic applications, such as in organic synthesis or as an intermediate in the production of other chemical entities. The presence of multiple methyl groups enhances steric hindrance, which can affect the compound's stability and reactivity. Overall, this compound is of interest in organic chemistry for its structural features and potential applications in synthesis and material science.

Formula: C₉H₁₃Br

InChI: InChI=1S/C9H13Br/c1-9(2,3)7-5-4-6-8-10/h4,6H,8H2,1-3H3/b6-4+

InChI key: InChIKey=OOLYZFSILFGXCC-GQCTYLIASA-N

SMILES: C(#CC(C)(C)C)/C=C/CBr

Synonyms:

• (2E)-1-Bromo-6,6-Dimethylhept-2-En-4-Yne
• (2E)-1-Bromo-6,6-dimethyl-2-hepten-4-yne
• (E)-1-Bromo-6,6-Dimethyl-2-Hepten-4-Yne
• 1-Bromo-6,6-Dimethyl-2-Ene-4-Yne-Heptane
• 1-Bromo-6,6-Dimethyl-2-Heptene-4-Yne
• 1-Bromo-6,6-Dimethyl-Hept-2-En-4-Yne
• 2-Hepten-4-yne, 1-bromo-6,6-dimethyl-, (2E)-
• 2-Hepten-4-yne, 1-bromo-6,6-dimethyl-, (E)-
• Timtec-Bb Sbb008839