1-(Dimethylamino)icosan-3-one
Basic information
- CAS
254753-55-4- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)CCN(C)C- InChIKey
KPZVHSHJIULHQX-UHFFFAOYSA-N- Molecular formula
- C22H45NO
- Average molar mass
- 339.6 g/mol
- Monoisotopic mass
- 339.35011506
Names & identifiers
- Preferred name
- 1-(Dimethylamino)icosan-3-one
- IUPAC
- 1-(dimethylamino)icosan-3-one
Names & synonyms
1-(dimethylamino)icosan-3-one1-(Dimethylamino)-3-eicosanoneSCHEMBL17077915DTXSID601305895254753-55-4
Database identifiers
- CAS
254753-55-4- PubChem CID
- 2802252
- DTXSID
DTXSID601305895
Properties
Computed structural properties
- XLogP
- 8.3
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 19
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 263
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…