Basic information
- Standard SMILES
COC(=O)c1ccc(COc2c(C=O)cccc2OC(=O)C(C)(C)C)cc1- InChIKey
AZSURBWGYIAYJO-UHFFFAOYSA-N- Molecular formula
- C21H22O6
- Average molar mass
- 370.4 g/mol
- Monoisotopic mass
- 370.14163842
Names & identifiers
- Preferred name
- Methyl 4-(2-formyl-6-pivaloyloxy-phenoxymethyl)benzoate
- IUPAC
- methyl 4-[[2-(2,2-dimethylpropanoyloxy)-6-formylphenoxy]methyl]benzoate
Names & synonyms
SCHEMBL8409429AZSURBWGYIAYJO-UHFFFAOYSA-Nmethyl 4-(2-formyl-6-pivaloyloxy-phenoxymethyl)benzoate
Database identifiers
- PubChem CID
- 21840947
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 515
Related reactions
2 records
Compound notes
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