Cas no 71092-59-6 (1,4,7,10,13,16,19,22,25,28,31,34-dodecaoxacyclohexatriacontane)
71092-59-6 structure
Product Name:1,4,7,10,13,16,19,22,25,28,31,34-dodecaoxacyclohexatriacontane
CAS No:71092-59-6
MF:C24H48O12
MW:528.630729675293
CID:2717717
PubChem ID:14295343
Update Time:2025-04-21
1,4,7,10,13,16,19,22,25,28,31,34-dodecaoxacyclohexatriacontane Chemical and Physical Properties
Names and Identifiers
-
- 1,4,7,10,13,16,19,22,25,28,31,34-dodecaoxacyclohexatriacontane
- 36-Crown-12
- DTXSID60558597
- 71092-59-6
- SCHEMBL11334265
-
- Inchi： 1S/C24H48O12/c1-2-26-5-6-28-9-10-30-13-14-32-17-18-34-21-22-36-24-23-35-20-19-33-16-15-31-12-11-29-8-7-27-4-3-25-1/h1-24H2
- InChI Key： OOTYQRGBXHSKRG-UHFFFAOYSA-N
- SMILES： O1CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC1
Computed Properties
- Exact Mass: 528.31500
- Monoisotopic Mass: 528.31457696Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 36
- Rotatable Bond Count: 0
- Complexity: 252
- 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: -1.6
- Topological Polar Surface Area: 111?2
Experimental Properties
- PSA: 110.76000
- LogP: 0.19920
1,4,7,10,13,16,19,22,25,28,31,34-dodecaoxacyclohexatriacontane Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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