Basic information
- Standard SMILES
CC[C@@H](C)C(=O)OC[C@](O)(COC(=O)C(C)C)c1ccc(C)cc1O- InChIKey
IHCGYZLHGZMPTF-AUUYWEPGSA-N- Molecular formula
- C19H28O6
- Average molar mass
- 352.4 g/mol
- Monoisotopic mass
- 352.18858862
Names & identifiers
- Preferred name
- [(2R)-2-hydroxy-2-(2-hydroxy-4-methylphenyl)-3-(2-methylpropanoyloxy)propyl] (2R)-2-methylbutanoate
- IUPAC
- [(2R)-2-hydroxy-2-(2-hydroxy-4-methylphenyl)-3-(2-methylpropanoyloxy)propyl] (2R)-2-methylbutanoate
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 449
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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