Basic information
- Standard SMILES
CCC(C#N)(CC)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1- InChIKey
VWLGBZNQOATYAX-UHFFFAOYSA-N- Molecular formula
- C18H26BNO2
- Average molar mass
- 299.2 g/mol
Names & identifiers
- Preferred name
- 2-Ethyl-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)butanenitrile
- IUPAC
- 2-ethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]butanenitrile
Names & synonyms
2-ethyl-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)butanenitrile1338547-06-0SCHEMBL12278849VWLGBZNQOATYAX-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 68229147
Properties
Computed structural properties
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 423
Related reactions
1 records
Compound notes
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