Basic information
- Standard SMILES
CC(C)(C)C(O)CON1C(=O)c2ccccc2C1=O- InChIKey
KQFJLRSPVMTBLE-UHFFFAOYSA-N- Molecular formula
- C14H17NO4
- Average molar mass
- 263.29 g/mol
- Monoisotopic mass
- 263.11575802
Names & identifiers
- Preferred name
- 2-(2-Hydroxy-3,3-dimethylbutoxy)-isoindole-1,3-dione
- IUPAC
- 2-(2-hydroxy-3,3-dimethylbutoxy)isoindole-1,3-dione
Names & synonyms
SCHEMBL3978571KQFJLRSPVMTBLE-UHFFFAOYSA-N2-(2-Hydroxy-3,3-dimethyl-butoxy)-isoindole-1,3-dione2-(2-hydroxy-3,3-dimethylbutoxy)-isoindole-1,3-dione
Database identifiers
- PubChem CID
- 21111533
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 350
Related reactions
6 records
Compound notes
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