Basic information
- CAS
2094-70-4- Standard SMILES
CCC(C)(C)C(=O)OCc1ccccc1- InChIKey
NOGKPRINILXHMM-UHFFFAOYSA-N- Molecular formula
- C13H18O2
- Average molar mass
- 206.28 g/mol
- Monoisotopic mass
- 206.13067981
Names & identifiers
- Preferred name
- Benzyl 2,2-dimethylbutanoate
- IUPAC
- benzyl 2,2-dimethylbutanoate
Names & synonyms
2094-70-4benzyl 2,2-dimethylbutanoateNSC179370SCHEMBL116845DTXSID20306697NSC-179370
Database identifiers
- CAS
2094-70-4- PubChem CID
- 301520
- DTXSID
DTXSID20306697
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 203
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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