Basic information
- Standard SMILES
CC(C)CC(=O)c1ccc(C(=O)OC(C)(C)C)cc1- InChIKey
HBIFSMJFGDWONG-UHFFFAOYSA-N- Molecular formula
- C16H22O3
- Average molar mass
- 262.34 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 4-(3-methylbutanoyl)benzoate
- IUPAC
- tert-butyl 4-(3-methylbutanoyl)benzoate
Names & synonyms
SCHEMBL14661860HBIFSMJFGDWONG-UHFFFAOYSA-Ntert-butyl 4-(3-methylbutanoyl)benzoatetert-butyl(+/-)-4-(3-methylbutanoyl)benzoatetert-butyl (+/-)-4-(3-methylbutanoyl)benzoate
Database identifiers
- PubChem CID
- 71239698
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 317
Related reactions
6 records
Compound notes
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