Pyrrolidine, 1-(1,6-dioxooctadecyl)-
Basic information
- CAS
56630-89-8- Standard SMILES
CCCCCCCCCCCCC(=O)CCCCC(=O)N1CCCC1- InChIKey
ZURMLYUPKZQPEP-UHFFFAOYSA-N- Molecular formula
- C22H41NO2
- Average molar mass
- 351.6 g/mol
- Monoisotopic mass
- 351.31372955
Names & identifiers
- Preferred name
- Pyrrolidine, 1-(1,6-dioxooctadecyl)-
- IUPAC
- 1-pyrrolidin-1-yloctadecane-1,6-dione
- English name
- Pyrrolidine, 1-(1,6-dioxooctadecyl)-
- Molecular formula
- C22H41NO2
- Molecular weight
- 351.57
Names & synonyms
Pyrrolidine, 1-(1,6-dioxooctadecyl)-56630-89-8DTXSID40336916RefChem:377927DTXCID60288004ZURMLYUPKZQPEP-UHFFFAOYSA-N1-(PYRROLIDIN-1-YL)OCTADECANE-1,6-DIONE1-(1,6-Dioxooctadecyl)-pyrrolidineDB-3273861-Oxo-1-(1-pyrrolidinyl)-6-octadecanone #1-(6-Oxostearoyl)pyrrolidine1,6-Octadecanedione, 1-(1-pyrrolidinyl)-
Database identifiers
- CAS
56630-89-8- PubChem CID
- 537253
- DTXSID
DTXSID40336916- Nikkaji
- J108.665K
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 16
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 348
Physicochemical properties
- Boiling point
- 503.7 · 503.7±33.0 °C(Predicted)
- Density
- 0.944 · 0.944±0.06 g/cm3(Predicted)
- pka
- -0.45 · -0.45±0.20(Predicted)
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Related reactions
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Compound notes
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