Basic information
- CAS
69703-41-9- Standard SMILES
C=CCC1(CCC#N)C(=O)CC(C)(C)CC1=O- InChIKey
JUAQSZHUCNJOSK-UHFFFAOYSA-N- Molecular formula
- C14H19NO2
- Average molar mass
- 233.31 g/mol
- Monoisotopic mass
- 233.14157885
Names & identifiers
- Preferred name
- 3-(4,4-Dimethyl-2,6-dioxo-1-prop-2-enylcyclohexyl)propanenitrile
- IUPAC
- 3-(4,4-dimethyl-2,6-dioxo-1-prop-2-enylcyclohexyl)propanenitrile
Names & synonyms
69703-41-9DTXSID703138763-(4,4-dimethyl-2,6-dioxo-1-prop-2-enylcyclohexyl)propanenitrileRefChem:274280DTXCID90265000NSC278031NSC-2780313-[4,4-DIMETHYL-2,6-DIOXO-1-(PROP-2-EN-1-YL)CYCLOHEXYL]PROPANENITRILE
Database identifiers
- CAS
69703-41-9- PubChem CID
- 322115
- DTXSID
DTXSID70313876
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 57.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 378
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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