2,2-Dimethylpropyl 3-hydroxy-3-(3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropanoate
Basic information
- CAS
112484-43-2- Standard SMILES
CC(C)(C)COC(=O)C(C)(C)C(O)OCC(C)(C)CO- InChIKey
NTHVXGUXZILPFV-UHFFFAOYSA-N- Molecular formula
- C15H30O5
- Average molar mass
- 290.4 g/mol
- Monoisotopic mass
- 290.20932405
Names & identifiers
- Preferred name
- 2,2-Dimethylpropyl 3-hydroxy-3-(3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropanoate
- IUPAC
- 2,2-dimethylpropyl 3-hydroxy-3-(3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropanoate
Database identifiers
- CAS
112484-43-2- PubChem CID
- 86127
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 315
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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