Basic information
- Standard SMILES
Cc1cc(C#N)cc(C)c1CCC(=O)OC(C)(C)C- InChIKey
USWTVWBQTWHKCM-UHFFFAOYSA-N- Molecular formula
- C16H21NO2
- Average molar mass
- 259.34 g/mol
- Monoisotopic mass
- 259.15722891
Names & identifiers
- Preferred name
- Tert-butyl 3-(4-cyano-2,6-dimethylphenyl)propanoate
- IUPAC
- tert-butyl 3-(4-cyano-2,6-dimethylphenyl)propanoate
Names & synonyms
tert-butyl 3-(4-cyano-2,6-dimethylphenyl)propanoate1011264-54-2SCHEMBL1187327USWTVWBQTWHKCM-UHFFFAOYSA-N3-(4-cyano-2,6-dimethyl-phenyl)-propionic acid tert-butyl esterDB-344176
Database identifiers
- PubChem CID
- 66935544
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 349
Related reactions
6 records
Compound notes
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