1,2-Diethynyl-3,4,5,6-tetramethylbenzene
Basic information
- CAS
65103-79-9- Standard SMILES
C#Cc1c(C)c(C)c(C)c(C)c1C#C- InChIKey
UJAJIFFDSQRGPR-UHFFFAOYSA-N- Molecular formula
- C14H14
- Average molar mass
- 182.26 g/mol
- Monoisotopic mass
- 182.10955045
Names & identifiers
- Preferred name
- 1,2-Diethynyl-3,4,5,6-tetramethylbenzene
- IUPAC
- 1,2-diethynyl-3,4,5,6-tetramethylbenzene
Names & synonyms
1,2-Diethynyl-3,4,5,6-tetramethylbenzene65103-79-9SCHEMBL29029271DTXSID60499476
Database identifiers
- CAS
65103-79-9- PubChem CID
- 12469062
- DTXSID
DTXSID60499476- Nikkaji
- J2.178.099E
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 262
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Related reactions
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Compound notes
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