1,3-Ditert-butyl-2-methoxy-4-oxo-3-azetidinecarbonitrile
Basic information
- CAS
55712-07-7- Standard SMILES
COC1N(C(C)(C)C)C(=O)C1(C#N)C(C)(C)C- InChIKey
GDWHQSXVAUJXHG-UHFFFAOYSA-N- Molecular formula
- C13H22N2O2
- Average molar mass
- 238.33 g/mol
- Monoisotopic mass
- 238.16812795
Names & identifiers
- Preferred name
- 1,3-Ditert-butyl-2-methoxy-4-oxo-3-azetidinecarbonitrile
- IUPAC
- 1,3-ditert-butyl-2-methoxy-4-oxoazetidine-3-carbonitrile
- English name
- 1,3-Ditert-butyl-2-methoxy-4-oxo-3-azetidinecarbonitrile
- Molecular formula
- C13H22N2O2
- Molecular weight
- 238.33
Names & synonyms
55712-07-71,3-Ditert-butyl-2-methoxy-4-oxo-3-azetidinecarbonitrileDTXSID80342258RefChem:219114DTXCID402933381,3-Di-t-butyl-3-cyano-4-methoxy-2-azetidinoneGDWHQSXVAUJXHG-UHFFFAOYSA-N1,3-DI-TERT-BUTYL-2-METHOXY-4-OXOAZETIDINE-3-CARBONITRILE1,3-Di-tert-butyl-3-cyano-4-methoxy-2-azetidinone1,3-Ditert-butyl-2-methoxy-4-oxo-3-azetidinecarbonitrile #3-Azetidinecarbonitrile, 1,3-bis(1,1-dimethylethyl)-2-methoxy-4-oxo-
Database identifiers
- CAS
55712-07-7- PubChem CID
- 580169
- DTXSID
DTXSID80342258- Nikkaji
- J530.523C
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 380
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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