6-methoxycarbonyl-5,5-dimethyl-3-oxo-2-[(E)-N-prop-2-enoxy-C-propylcarbonimidoyl]cyclohexen-1-olate
Basic information
- CAS
2490414-36-1- Standard SMILES
C=CCO/N=C(\CCC)C1=C([O-])C(C(=O)OC)C(C)(C)CC1=O- InChIKey
PNCNFDRSHBFIDM-WOJGMQOQSA-M- Molecular formula
- C17H24NO5-
- Average molar mass
- 322.4 g/mol
- Monoisotopic mass
- 322.16544787
Names & identifiers
- Preferred name
- 6-methoxycarbonyl-5,5-dimethyl-3-oxo-2-[(E)-N-prop-2-enoxy-C-propylcarbonimidoyl]cyclohexen-1-olate
- IUPAC
- 6-methoxycarbonyl-5,5-dimethyl-3-oxo-2-[(E)-N-prop-2-enoxy-C-propylcarbonimidoyl]cyclohexen-1-olate
Names & synonyms
DTXSID4010281982490414-36-13-(Methoxycarbonyl)-4,4-dimethyl-2,6-dioxo-1-((1E)-N-(prop-2-en-1-yloxy)butanimidoyl)cyclohexanide
Database identifiers
- CAS
2490414-36-1- PubChem CID
- 5897084
- DTXSID
DTXSID401028198- Nikkaji
- J264.887C
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 88 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- -1
- Complexity
- 545
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…