Cas no 67684-12-2 (Octaethyl cyclohexane-1,1,2,2,4,4,5,5-octacarboxylate)
67684-12-2 structure
Product Name:Octaethyl cyclohexane-1,1,2,2,4,4,5,5-octacarboxylate
CAS No:67684-12-2
MF:C30H44O16
MW:660.660771369934
CID:2798231
PubChem ID:20326805
Update Time:2025-04-21
Octaethyl cyclohexane-1,1,2,2,4,4,5,5-octacarboxylate Chemical and Physical Properties
Names and Identifiers
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- 67684-12-2
- Octaethyl cyclohexane-1,1,2,2,4,4,5,5-octacarboxylate
- DTXSID80605476
- SCHEMBL11581057
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- Inchi： 1S/C30H44O16/c1-9-39-19(31)27(20(32)40-10-2)17-29(23(35)43-13-5,24(36)44-14-6)30(25(37)45-15-7,26(38)46-16-8)18-28(27,21(33)41-11-3)22(34)42-12-4/h9-18H2,1-8H3
- InChI Key： OAHALUOARGEWFD-UHFFFAOYSA-N
- SMILES： O(CC)C(C1(C(=O)OCC)CC(C(=O)OCC)(C(=O)OCC)C(C(=O)OCC)(C(=O)OCC)CC1(C(=O)OCC)C(=O)OCC)=O
Computed Properties
- Exact Mass: 660.26293531Da
- Monoisotopic Mass: 660.26293531Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 16
- Heavy Atom Count: 46
- Rotatable Bond Count: 24
- Complexity: 921
- 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: 2.7
- Topological Polar Surface Area: 210?2
Octaethyl cyclohexane-1,1,2,2,4,4,5,5-octacarboxylate Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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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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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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