Basic information
- CAS
4190-19-6- Standard SMILES
O=C1CCCCCN1CCCCCCN1CCCCCC1=O- InChIKey
CUIOHEDSSBSZPE-UHFFFAOYSA-N- Molecular formula
- C18H32N2O2
- Average molar mass
- 308.5 g/mol
- Monoisotopic mass
- 308.24637827
Names & identifiers
- Preferred name
- 1,1'-(Hexane-1,6-diyl)di(azepan-2-one)
- IUPAC
- 1-[6-(2-oxoazepan-1-yl)hexyl]azepan-2-one
Names & synonyms
4190-19-6DTXSID507855571,1'-(Hexane-1,6-diyl)di(azepan-2-one)
Database identifiers
- CAS
4190-19-6- PubChem CID
- 71361908
- DTXSID
DTXSID50785557
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 323
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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