Basic information
- Standard SMILES
CCC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c2c(c1)C(C)(C)CO2- InChIKey
BNUDSEAHNUOQCO-UHFFFAOYSA-N- Molecular formula
- C19H27BO4
- Average molar mass
- 330.2 g/mol
Names & identifiers
- Preferred name
- 1-[3,3-Dimethyl-7-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-2,3-dihydro-benzofuran-5-yl]-propan-1-one
- IUPAC
- 1-[3,3-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-1-benzofuran-5-yl]propan-1-one
Names & synonyms
SCHEMBL5658436BNUDSEAHNUOQCO-UHFFFAOYSA-N1-[3,3-dimethyl-7-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-2,3-dihydro-benzofuran-5-yl]-propan-1-one
Database identifiers
- PubChem CID
- 18445389
Properties
Computed structural properties
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 497
Related reactions
1 records
Compound notes
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