Dimethyl 5,6-bis(ethylcarbamoyloxymethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
Basic information
- CAS
71388-56-2- Standard SMILES
CCNC(=O)OCC1=C(COC(=O)NCC)C2OC1C(C(=O)OC)=C2C(=O)OC- InChIKey
OTKIGKLPSQEFDW-UHFFFAOYSA-N- Molecular formula
- C18H24N2O9
- Average molar mass
- 412.4 g/mol
- Monoisotopic mass
- 412.14818035
Names & identifiers
- Preferred name
- Dimethyl 5,6-bis(ethylcarbamoyloxymethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
- IUPAC
- dimethyl 5,6-bis(ethylcarbamoyloxymethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
Names & synonyms
NSC30525871388-56-2dimethyl 5,6-bis(ethylcarbamoyloxymethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylateDTXSID60316614NSC-305258Dimethyl 5,6-bis({[(ethylamino)carbonyl]oxy}methyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylateDimethyl 5,6-bis{[(ethylcarbamoyl)oxy]methyl}-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
Database identifiers
- CAS
71388-56-2- PubChem CID
- 327993
- DTXSID
DTXSID60316614
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 696
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Related reactions
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Compound notes
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