Ethyl 4-dodecyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
Basic information
- CAS
25573-78-8- Standard SMILES
CCCCCCCCCCCCc1c(C)[nH]c(C(=O)OCC)c1C- InChIKey
SOXYTXLLKAJLSX-UHFFFAOYSA-N- Molecular formula
- C21H37NO2
- Average molar mass
- 335.5 g/mol
- Monoisotopic mass
- 335.28242942
Names & identifiers
- Preferred name
- Ethyl 4-dodecyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
- IUPAC
- ethyl 4-dodecyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
Names & synonyms
ethyl 4-dodecyl-3,5-dimethyl-1h-pyrrole-2-carboxylate25573-78-8DTXSID60710532RefChem:343950DTXCID90661280SCHEMBL11648790
Database identifiers
- CAS
25573-78-8- PubChem CID
- 54317023
- DTXSID
DTXSID60710532- Nikkaji
- J1.827.973H
Properties
Computed structural properties
- XLogP
- 8.2
- Topological polar surface area
- 42.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 14
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 332
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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