O9-tert-Butyl O5-methyl (6R)-9-azabicyclo(4.2.1)non-4-ene-5,9-dicarboxylate
Basic information
- CAS
125826-58-6- Standard SMILES
COC(=O)C1=CCCC2CC[C@H]1N2C(=O)OC(C)(C)C- InChIKey
JITGNWSWQVOTFK-TVKKRMFBSA-N- Molecular formula
- C15H23NO4
- Average molar mass
- 281.35 g/mol
- Monoisotopic mass
- 281.16270821
Names & identifiers
- Preferred name
- O9-tert-Butyl O5-methyl (6R)-9-azabicyclo(4.2.1)non-4-ene-5,9-dicarboxylate
- IUPAC
- 9-O-tert-butyl 2-O-methyl (1R)-9-azabicyclo[4.2.1]non-2-ene-2,9-dicarboxylate
Names & synonyms
125826-58-6O9-tert-Butyl O5-methyl (6R)-9-azabicyclo(4.2.1)non-4-ene-5,9-dicarboxylate
Database identifiers
- CAS
125826-58-6- PubChem CID
- 180404
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 436
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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