1-(tert-Butyl)-3,4-diethoxy-1H-pyrrole
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Basic information
- CAS
220280-01-3- Standard SMILES
CCOc1cn(C(C)(C)C)cc1OCC- InChIKey
JSLXDQQYKKZRRK-UHFFFAOYSA-N- Molecular formula
- C12H21NO2
- Average molar mass
- 211.3 g/mol
- Monoisotopic mass
- 211.15722891
Names & identifiers
- Preferred name
- 1-(tert-Butyl)-3,4-diethoxy-1H-pyrrole
- IUPAC
- 1-tert-butyl-3,4-diethoxypyrrole
- English name
- 1H-Pyrrole,1-(1,1-dimethylethyl)-3,4-diethoxy-(9CI)
- Molecular formula
- C12H21NO2
- Molecular weight
- 211.30064
Names & synonyms
1-(tert-Butyl)-3,4-diethoxy-1H-pyrrole220280-01-3DB-2796371H-PYRROLE, 1-(1,1-DIMETHYLETHYL)-3,4-DIETHOXY-1H-Pyrrole,1-(1,1-dimethylethyl)-3,4-diethoxy-(9CI)
Database identifiers
- CAS
220280-01-3- PubChem CID
- 45094234
- Nikkaji
- J1.135.862D
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 23.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 175
Related reactions
0 records
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Compound notes
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