Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC2c3cccc(B4OC(C)(C)C(C)(C)O4)c3OC2C1- InChIKey
LHGCKGHUCNJFPJ-UHFFFAOYSA-N- Molecular formula
- C22H32BNO5
- Average molar mass
- 401.3 g/mol
Names & identifiers
- Preferred name
- tert-butyl 8-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-3,4,4a,9a-tetrahydro[1]benzofuro[2,3-c]pyridine-2(1H)-carboxylate
- IUPAC
- tert-butyl 8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4,4a,9a-tetrahydro-1H-[1]benzofuro[2,3-c]pyridine-2-carboxylate
Names & synonyms
SCHEMBL13836505LHGCKGHUCNJFPJ-UHFFFAOYSA-Ntert-butyl 8-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-3,4,4a,9a-tetrahydro[1]benzofuro[2,3-c]pyridine-2(1H)-carboxylate
Database identifiers
- PubChem CID
- 71009216
Properties
Computed structural properties
- Topological polar surface area
- 57.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 630
Related reactions
1 records
Compound notes
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