Diethyl 1,1'-(hexane-1,6-diyl)bis(4,5-dioxopyrrolidine-3-carboxylate)
Basic information
- CAS
7596-14-7- Standard SMILES
CCOC(=O)C1CN(CCCCCCN2CC(C(=O)OCC)C(=O)C2=O)C(=O)C1=O- InChIKey
VUVWFAVRKUHEIO-UHFFFAOYSA-N- Molecular formula
- C20H28N2O8
- Average molar mass
- 424.4 g/mol
- Monoisotopic mass
- 424.18456586
Names & identifiers
- Preferred name
- Diethyl 1,1'-(hexane-1,6-diyl)bis(4,5-dioxopyrrolidine-3-carboxylate)
- IUPAC
- ethyl 1-[6-(4-ethoxycarbonyl-2,3-dioxopyrrolidin-1-yl)hexyl]-4,5-dioxopyrrolidine-3-carboxylate
Names & synonyms
7596-14-7Diethyl 1,1'-(hexane-1,6-diyl)bis(4,5-dioxopyrrolidine-3-carboxylate)NSC405638DTXSID70324068NSC-405638
Database identifiers
- CAS
7596-14-7- PubChem CID
- 347140
- DTXSID
DTXSID70324068
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 13
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 660
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Compound notes
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