Ethyl 2-methyl-2-phenylhexanoate
Basic information
- CAS
2901-14-6- Standard SMILES
CCCCC(C)(C(=O)OCC)c1ccccc1- InChIKey
OSAYEMUXOCSQHR-UHFFFAOYSA-N- Molecular formula
- C15H22O2
- Average molar mass
- 234.33 g/mol
- Monoisotopic mass
- 234.16197994
Names & identifiers
- Preferred name
- Ethyl 2-methyl-2-phenylhexanoate
- IUPAC
- ethyl 2-methyl-2-phenylhexanoate
Names & synonyms
ethyl 2-methyl-2-phenylhexanoate2901-14-6DTXSID701290748Ethyl I+/--butyl-I+/--methylbenzeneacetate
Database identifiers
- CAS
2901-14-6- PubChem CID
- 257802
- DTXSID
DTXSID701290748
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 231
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…