7,16-Didodecyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
Basic information
- CAS
6504-40-1- Standard SMILES
CCCCCCCCCCCCN1CCOCCOCCN(CCCCCCCCCCCC)CCOCCOCC1- InChIKey
FMQANVLYPUOEDO-UHFFFAOYSA-N- Molecular formula
- C36H74N2O4
- Average molar mass
- 599 g/mol
- Monoisotopic mass
- 598.56485885
Names & identifiers
- Preferred name
- 7,16-Didodecyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
- IUPAC
- 7,16-didodecyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
Names & synonyms
7,16-didodecyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane100330-77-66504-40-11,4,10,13-Tetraoxa-7,16-diazacyclooctadecane, 7,16-didodecyl-SCHEMBL11553328DTXSID30983579AKOS024365768ST50998942
Database identifiers
- CAS
6504-40-1- PubChem CID
- 5228760
- DTXSID
DTXSID30983579- Nikkaji
- J469.755C
Properties
Computed structural properties
- XLogP
- 10.7
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 22
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 447
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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