6,9-Dioxa-3,12-diazatetradecane-1,14-diol, 3,12-dioctyl-
Basic information
- CAS
120530-24-7- Standard SMILES
CCCCCCCCN(CCO)CCOCCOCCN(CCO)CCCCCCCC- InChIKey
HMCKPNYQDPHCGR-UHFFFAOYSA-N- Molecular formula
- C26H56N2O4
- Average molar mass
- 460.7 g/mol
- Monoisotopic mass
- 460.42400827
Names & identifiers
- Preferred name
- 6,9-Dioxa-3,12-diazatetradecane-1,14-diol, 3,12-dioctyl-
- IUPAC
- 2-[2-[2-[2-[2-hydroxyethyl(octyl)amino]ethoxy]ethoxy]ethyl-octylamino]ethanol
Names & synonyms
120530-24-76,9-Dioxa-3,12-diazatetradecane-1,14-diol, 3,12-dioctyl-DTXSID80399186AKOS024354650ST509814583,12-DIOCTYL-6,9-DIOXA-3,12-DIAZATETRADECANE-1,14-DIOL2-{[2-(2-{2-[(2-hydroxyethyl)octylamino]ethoxy}ethoxy)ethyl]octylamino}ethan-1 -ol
Database identifiers
- CAS
120530-24-7- PubChem CID
- 4089787
- DTXSID
DTXSID80399186
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 65.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 27
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 316
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Compound notes
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