Cas no 102069-58-9 (1,4,7-Trioxa-10-azacyclododecane, 10-dodecyl-)
102069-58-9 structure
Product Name:1,4,7-Trioxa-10-azacyclododecane, 10-dodecyl-
CAS No:102069-58-9
MF:C20H41NO3
MW:343.544446706772
CID:1135060
PubChem ID:13692127
Update Time:2025-04-20
1,4,7-Trioxa-10-azacyclododecane, 10-dodecyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,4,7-Trioxa-10-azacyclododecane, 10-dodecyl-
- 10-dodecyl-1,4,7-trioxa-10-azacyclododecane
- DTXSID80546835
- 102069-58-9
-
- Inchi： 1S/C20H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-21-13-15-22-17-19-24-20-18-23-16-14-21/h2-20H2,1H3
- InChI Key： UNHVPTBLYATDFG-UHFFFAOYSA-N
- SMILES： O1CCOCCOCCN(CC1)CCCCCCCCCCCC
Computed Properties
- Exact Mass: 343.30883
- Monoisotopic Mass: 343.30864417g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 24
- Rotatable Bond Count: 11
- Complexity: 239
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.2
- Topological Polar Surface Area: 30.9?2
Experimental Properties
- PSA: 30.93
1,4,7-Trioxa-10-azacyclododecane, 10-dodecyl- Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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