Basic information
- CAS
81777-92-6- Standard SMILES
Cc1ccccc1CN1OCC(C)(C)C1=O- InChIKey
MFCVJVSUKRTRFE-UHFFFAOYSA-N- Molecular formula
- C13H17NO2
- Average molar mass
- 219.28 g/mol
- Monoisotopic mass
- 219.12592879
Names & identifiers
- Preferred name
- 4,4-Dimethyl-2-[(2-methylphenyl)methyl]-1,2-oxazolidin-3-one
- IUPAC
- 4,4-dimethyl-2-[(2-methylphenyl)methyl]-1,2-oxazolidin-3-one
Names & synonyms
81777-92-64,4-Dimethyl-2-(2-methylbenzyl)isoxazolidin-3-one4,4-dimethyl-2-[(2-methylphenyl)methyl]-1,2-oxazolidin-3-oneSCHEMBL7615597DTXSID30526122
Database identifiers
- CAS
81777-92-6- PubChem CID
- 13192567
- DTXSID
DTXSID30526122
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 275
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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