Basic information
- Standard SMILES
CC(C)(C)OC(=O)C=CCc1ccccc1- InChIKey
QDBFOWJVSNFYNK-UHFFFAOYSA-N- Molecular formula
- C14H18O2
- Average molar mass
- 218.29 g/mol
- Monoisotopic mass
- 218.13067981
Names & identifiers
- Preferred name
- t-Butyl 4-phenyl-2-butenoate
- IUPAC
- tert-butyl 4-phenylbut-2-enoate
Names & synonyms
t-butyl 4-phenyl-2-butenoatet-butyl 4-phenylbut-2-enoateSCHEMBL6820227QDBFOWJVSNFYNK-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 53401901
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 242
Related reactions
7 records
Compound notes
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