Basic information
- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC[N+](C)(C)CCOC(=O)CCCCCCCCCCCCCCCCC- InChIKey
UUBKGJHHVMRJDS-UHFFFAOYSA-N- Molecular formula
- C42H84NO4+
- Average molar mass
- 667.1 g/mol
- Monoisotopic mass
- 666.64003516
Names & identifiers
- Preferred name
- N,N-Dimethyl-2-(octadecanoyloxy)-N-[2-(octadecanoyloxy)ethyl]ethan-1-aminium
- IUPAC
- dimethyl-bis(2-octadecanoyloxyethyl)azanium
Names & synonyms
SCHEMBL1056065DTXSID60860844NS00013643Diethyl ester dialkyl dimethyl ammonium compound C18:18 (deeDADMAC C18:C18)N,N-Dimethyl-2-(octadecanoyloxy)-N-[2-(octadecanoyloxy)ethyl]ethan-1-aminium
Database identifiers
- PubChem CID
- 105819
- DTXSID
DTXSID60860844- Nikkaji
- J283.047G
Properties
Computed structural properties
- XLogP
- 16.9
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 40
- Heavy atoms
- 47
- Formal charge
- 1
- Complexity
- 611
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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