Dimethyl 5,6-bis{[(butylcarbamoyl)oxy]methyl}-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
Basic information
- CAS
71388-58-4- Standard SMILES
CCCCNC(=O)OCC1=C(COC(=O)NCCCC)C2OC1C(C(=O)OC)=C2C(=O)OC- InChIKey
NNXCHJUTNYFWOZ-UHFFFAOYSA-N- Molecular formula
- C22H32N2O9
- Average molar mass
- 468.5 g/mol
- Monoisotopic mass
- 468.2107806
Names & identifiers
- Preferred name
- Dimethyl 5,6-bis{[(butylcarbamoyl)oxy]methyl}-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
- IUPAC
- dimethyl 5,6-bis(butylcarbamoyloxymethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
Names & synonyms
71388-58-4NSC305260DTXSID80316616NSC-305260Dimethyl 5,6-bis{[(butylcarbamoyl)oxy]methyl}-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
Database identifiers
- CAS
71388-58-4- PubChem CID
- 327995
- DTXSID
DTXSID80316616
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 16
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 755
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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