Ethyl 6-(diethylamino)-6-oxohexanoate
Basic information
- CAS
6946-54-9- Standard SMILES
CCOC(=O)CCCCC(=O)N(CC)CC- InChIKey
CAFJZYMPWONECK-UHFFFAOYSA-N- Molecular formula
- C12H23NO3
- Average molar mass
- 229.32 g/mol
- Monoisotopic mass
- 229.1677936
Names & identifiers
- Preferred name
- Ethyl 6-(diethylamino)-6-oxohexanoate
- IUPAC
- ethyl 6-(diethylamino)-6-oxohexanoate
Names & synonyms
6946-54-9ethyl 6-(diethylamino)-6-oxohexanoateNSC57334Hexanoic acid,6-(diethylamino)-6-oxo-, ethyl esterDTXSID90288693NSC-57334DS-001560
Database identifiers
- CAS
6946-54-9- PubChem CID
- 245385
- DTXSID
DTXSID90288693
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 212
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…