Basic information
- CAS
59863-48-8- Standard SMILES
CC(C)(C)C(=O)OCCOCCOC(=O)c1ccccc1- InChIKey
NOYBVIRCNUXLIF-UHFFFAOYSA-N- Molecular formula
- C16H22O5
- Average molar mass
- 294.34 g/mol
- Monoisotopic mass
- 294.1467238
Names & identifiers
- Preferred name
- 2-{2-[(2,2-Dimethylpropanoyl)oxy]ethoxy}ethyl benzoate
- IUPAC
- 2-[2-(2,2-dimethylpropanoyloxy)ethoxy]ethyl benzoate
Names & synonyms
59863-48-8NSC2745952-{2-[(2,2-Dimethylpropanoyl)oxy]ethoxy}ethyl benzoateSCHEMBL11609606DTXSID70313674NSC-274595
Database identifiers
- CAS
59863-48-8- PubChem CID
- 321697
- DTXSID
DTXSID70313674
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 326
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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