Basic information
- CAS
88606-98-8- Standard SMILES
CC(C)CCCN1CCCCCC1=O- InChIKey
SQTCTYHSJHUSPR-UHFFFAOYSA-N- Molecular formula
- C12H23NO
- Average molar mass
- 197.32 g/mol
- Monoisotopic mass
- 197.17796436
Names & identifiers
- Preferred name
- 1-(4-Methylpentyl)azepan-2-one
- IUPAC
- 1-(4-methylpentyl)azepan-2-one
Names & synonyms
1-(4-Methylpentyl)azepan-2-one88606-98-8DTXSID10749135
Database identifiers
- CAS
88606-98-8- PubChem CID
- 71319087
- DTXSID
DTXSID10749135
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 177
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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