Basic information
- Standard SMILES
CCOC(=O)CC(C)(O)C=Cc1ccccc1- InChIKey
XBRYZTMBSJETNR-UHFFFAOYSA-N- Molecular formula
- C14H18O3
- Average molar mass
- 234.29 g/mol
Names & identifiers
- Preferred name
- Ethyl 3-hydroxy-3-methyl-5-phenylpent-4-enoate
- IUPAC
- ethyl 3-hydroxy-3-methyl-5-phenylpent-4-enoate
Names & synonyms
SCHEMBL312599
Database identifiers
- PubChem CID
- 66650377
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 267
Related reactions
2 records
Compound notes
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