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CAS 702-79-4

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1,3-Dimethyladamantane

Description:
1,3-Dimethyladamantane, with the CAS number 702-79-4, is a bicyclic organic compound belonging to the adamantane family. It features a rigid, three-dimensional structure characterized by its diamond-like framework, which contributes to its stability and unique properties. This compound has two methyl groups attached to the adamantane core at the 1 and 3 positions, enhancing its hydrophobic characteristics. 1,3-Dimethyladamantane is typically a colorless, crystalline solid at room temperature and exhibits a relatively high melting point compared to many other organic compounds. It is insoluble in water but soluble in organic solvents, reflecting its nonpolar nature. The compound is of interest in various fields, including medicinal chemistry and materials science, due to its potential applications in drug design and as a building block for more complex molecules. Additionally, its structural rigidity and steric hindrance make it a valuable compound for studying molecular interactions and dynamics.
Formula:C12H20
InChI:InChI=1S/C12H20/c1-11-4-9-3-10(5-11)7-12(2,6-9)8-11/h9-10H,3-8H2,1-2H3
InChI key:InChIKey=CWNOIUTVJRWADX-UHFFFAOYSA-N
SMILES:CC12CC3(C)CC(C1)CC(C2)C3
Synonyms:
  • 1,3-Dimethylasamantane
  • 1,3-Dimethyltricyclo(3.3.1.13,7)decane
  • 1,3-Dimethyltricyclo[3.3.1.1<sup>3,7</sup>]decane
  • 1,3-Dimethyltricyclo[3.3.1.1~3,7~]Decane
  • 1.3-Dimethyladamantane
  • 3,5-Dimethyladamantane
  • Adamantane, 1,3-dimethyl-
  • Tricyclo[3.3.1.1<sup>3,7</sup>]decane, 1,3-dimethyl-
  • Tricyclo[3.3.1.13,7]decane, 1,3-dimethyl-
  • 1,3-Dimethyladamantane
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