Basic information
- CAS
55886-35-6- Standard SMILES
CC1(C)CN(C(C)(C)C)CC(C)(C)C(=O)C1=O- InChIKey
JXVQXRKVAROBHF-UHFFFAOYSA-N- Molecular formula
- C14H25NO2
- Average molar mass
- 239.35 g/mol
- Monoisotopic mass
- 239.18852904
Names & identifiers
- Preferred name
- 1-Tert-butyl-3,3,6,6-tetramethylazepane-4,5-dione
- IUPAC
- 1-tert-butyl-3,3,6,6-tetramethylazepane-4,5-dione
Names & synonyms
1-tert-butyl-3,3,6,6-tetramethylazepane-4,5-dione55886-35-6DTXSID00302753RefChem:235384DTXCID50253887NSC153341NSC-153341
Database identifiers
- CAS
55886-35-6- PubChem CID
- 290249
- DTXSID
DTXSID00302753
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 320
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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