Cas no 106731-56-0 (Hexaethyl pentane-1,1,1,5,5,5-hexacarboxylate)
106731-56-0 structure
Product Name:Hexaethyl pentane-1,1,1,5,5,5-hexacarboxylate
CAS No:106731-56-0
MF:C23H36O12
MW:504.524748802185
CID:2624264
PubChem ID:13614262
Update Time:2025-04-21
Hexaethyl pentane-1,1,1,5,5,5-hexacarboxylate Chemical and Physical Properties
Names and Identifiers
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- DTXSID30545050
- 106731-56-0
- DTXCID40495835
- Hexaethyl pentane-1,1,1,5,5,5-hexacarboxylate
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- Inchi: 1S/C23H36O12/c1-7-30-16(24)22(17(25)31-8-2,18(26)32-9-3)14-13-15-23(19(27)33-10-4,20(28)34-11-5)21(29)35-12-6/h7-15H2,1-6H3
- InChI Key: QKKVSFDFZXDRLP-UHFFFAOYSA-N
- SMILES: O(CC)C(C(C(=O)OCC)(C(=O)OCC)CCCC(C(=O)OCC)(C(=O)OCC)C(=O)OCC)=O
Computed Properties
- Exact Mass: 504.22067658Da
- Monoisotopic Mass: 504.22067658Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 35
- Rotatable Bond Count: 22
- Complexity: 605
- 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: 3.4
- Topological Polar Surface Area: 158?2
Hexaethyl pentane-1,1,1,5,5,5-hexacarboxylate Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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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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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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