Basic information
- Standard SMILES
Cc1ccc(B(O)O)cc1C1C(=O)C(C)(C)OC(C)(C)C1=O- InChIKey
OTGKTLYXUOABMD-UHFFFAOYSA-N- Molecular formula
- C16H21BO5
- Average molar mass
- 304.1 g/mol
Names & identifiers
- Preferred name
- 4-Methyl-3-(2,2,6,6-tetramethyl-3,5-dioxo-tetrahydropyran-4-yl)phenylboronic acid
- IUPAC
- [4-methyl-3-(2,2,6,6-tetramethyl-3,5-dioxooxan-4-yl)phenyl]boronic acid
Names & synonyms
SCHEMBL3035837OTGKTLYXUOABMD-UHFFFAOYSA-N4-methyl-3-(2,2,6,6-tetramethyl-3,5-dioxo-tetrahydropyran-4-yl)phenylboronic acid
Database identifiers
- PubChem CID
- 68488018
Properties
Computed structural properties
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 445
Related reactions
4 records
Compound notes
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