Basic information
- Standard SMILES
CC[C@H](O)c1cccc(C(=O)OC(C)(C)C)c1- InChIKey
SKHHEQGGYBETMS-LBPRGKRZSA-N- Molecular formula
- C14H20O3
- Average molar mass
- 236.31 g/mol
Names & identifiers
- Preferred name
- tert-butyl 3-[(1S)-1-hydroxypropyl]benzoate
- IUPAC
- tert-butyl 3-[(1S)-1-hydroxypropyl]benzoate
Names & synonyms
SCHEMBL1185400SKHHEQGGYBETMS-LBPRGKRZSA-Ntert-butyl 3-[(1S)-1-hydroxypropyl]benzoate
Database identifiers
- PubChem CID
- 66934833
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 255
Related reactions
3 records
Compound notes
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