3,3-Diethyl-5-[(2-ethyl-1H-imidazol-1-yl)methyl]oxolan-2-one
Basic information
- CAS
827017-62-9- Standard SMILES
CCc1nccn1CC1CC(CC)(CC)C(=O)O1- InChIKey
BFEKOVMTCKVUHD-UHFFFAOYSA-N- Molecular formula
- C14H22N2O2
- Average molar mass
- 250.34 g/mol
- Monoisotopic mass
- 250.16812795
Names & identifiers
- Preferred name
- 3,3-Diethyl-5-[(2-ethyl-1H-imidazol-1-yl)methyl]oxolan-2-one
- IUPAC
- 3,3-diethyl-5-[(2-ethylimidazol-1-yl)methyl]oxolan-2-one
Names & synonyms
827017-62-9DTXSID708372043,3-Diethyl-5-[(2-ethyl-1H-imidazol-1-yl)methyl]oxolan-2-one
Database identifiers
- CAS
827017-62-9- PubChem CID
- 71417874
- DTXSID
DTXSID70837204
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 302
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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