Basic information
- CAS
88309-33-5- Standard SMILES
CCC1=N[C@H](C)[C@@](C)(C(C)=O)O1- InChIKey
HQBNNRPIBFPRIB-MUWHJKNJSA-N- Molecular formula
- C9H15NO2
- Average molar mass
- 169.22 g/mol
- Monoisotopic mass
- 169.11027872
Names & identifiers
- Preferred name
- 1-[(4R,5S)-2-ethyl-4,5-dimethyl-4H-1,3-oxazol-5-yl]ethanone
- IUPAC
- 1-[(4R,5S)-2-ethyl-4,5-dimethyl-4H-1,3-oxazol-5-yl]ethanone
- English name
- Ethanone, 1-(2-ethyl-4,5-dihydro-4,5-dimethyl-5-oxazolyl)-, trans- (9CI)
- Molecular formula
- C9H15NO2
- Molecular weight
- 169.22
Names & synonyms
Ethanone, 1-(2-ethyl-4,5-dihydro-4,5-dimethyl-5-oxazolyl)-, trans- (9CI)
Database identifiers
- CAS
88309-33-5- PubChem CID
- 45086494
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 235
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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