Basic information
- Standard SMILES
COC(=O)[C@H]1COC(=O)N1CCCCCCC#N- InChIKey
ITSYQYHWGQYDFB-SNVBAGLBSA-N- Molecular formula
- C12H18N2O4
- Average molar mass
- 254.28 g/mol
- Monoisotopic mass
- 254.12665706
Names & identifiers
- Preferred name
- methyl(4R)-3-(6-cyanohexyl)-2-oxo-1,3-oxazolidine-4-carboxylate
- IUPAC
- methyl (4R)-3-(6-cyanohexyl)-2-oxo-1,3-oxazolidine-4-carboxylate
Names & synonyms
SCHEMBL6088462ITSYQYHWGQYDFB-SNVBAGLBSA-Nmethyl (4R)-3-(6-cyanohexyl)-2-oxo-1,3-oxazolidine-4-carboxylatemethyl(4R)-3-(6-cyanohexyl)-2-oxo-1,3-oxazolidine-4-carboxylate
Database identifiers
- PubChem CID
- 69659745
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 79.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 347
Related reactions
2 records
Compound notes
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