Basic information
- CAS
15818-31-2- Standard SMILES
CC(C)(C)CCN1C(=O)c2ccccc2C1=O- InChIKey
NXFBPANFIOIQDU-UHFFFAOYSA-N- Molecular formula
- C14H17NO2
- Average molar mass
- 231.29 g/mol
- Monoisotopic mass
- 231.12592879
Names & identifiers
- Preferred name
- 2-(3,3-Dimethylbutyl)isoindole-1,3-dione
- IUPAC
- 2-(3,3-dimethylbutyl)isoindole-1,3-dione
Names & synonyms
15818-31-22-(3,3-dimethylbutyl)isoindole-1,3-dione2-(3,3-dimethylbutyl)-1h-isoindole-1,3(2h)-dioneNSC145075SCHEMBL9969490DTXSID70301637NSC-145075
Database identifiers
- CAS
15818-31-2- PubChem CID
- 286589
- DTXSID
DTXSID70301637
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 306
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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