Basic information
- CAS
41299-14-3- Standard SMILES
CC(C)(C)C1=CC(=O)C(C#N)(C(C)(C)C)C1=O- InChIKey
YVGKZQRYZABJGL-UHFFFAOYSA-N- Molecular formula
- C14H19NO2
- Average molar mass
- 233.31 g/mol
- Monoisotopic mass
- 233.14157885
Names & identifiers
- Preferred name
- 1,3-Di-tert-butyl-2,5-dioxocyclopent-3-ene-1-carbonitrile
- IUPAC
- 1,3-ditert-butyl-2,5-dioxocyclopent-3-ene-1-carbonitrile
Names & synonyms
41299-14-3NSC240468DTXSID103112101,3-Di-tert-butyl-2,5-dioxocyclopent-3-ene-1-carbonitrileNSC-240468
Database identifiers
- CAS
41299-14-3- PubChem CID
- 315345
- DTXSID
DTXSID10311210
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 57.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 463
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…