Cas no 650622-19-8 (1,2,4,5-Cyclohexanetetracarboxylic acid, tetrabutyl ester)
650622-19-8 structure
Product Name:1,2,4,5-Cyclohexanetetracarboxylic acid, tetrabutyl ester
CAS No:650622-19-8
MF:C26H44O8
MW:484.622769355774
CID:408596
PubChem ID:23444043
Update Time:2025-04-19
1,2,4,5-Cyclohexanetetracarboxylic acid, tetrabutyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1,2,4,5-Cyclohexanetetracarboxylic acid, tetrabutyl ester
- tetrabutyl cyclohexane-1,2,4,5-tetracarboxylate
- SCHEMBL1298046
- DTXSID70634199
- 650622-19-8
-
- Inchi： 1S/C26H44O8/c1-5-9-13-31-23(27)19-17-21(25(29)33-15-11-7-3)22(26(30)34-16-12-8-4)18-20(19)24(28)32-14-10-6-2/h19-22H,5-18H2,1-4H3
- InChI Key： LHBROFUOKBLKCT-UHFFFAOYSA-N
- SMILES： O(CCCC)C(C1CC(C(=O)OCCCC)C(C(=O)OCCCC)CC1C(=O)OCCCC)=O
Computed Properties
- Exact Mass: 484.30372
- Monoisotopic Mass: 484.30361836g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 34
- Rotatable Bond Count: 20
- Complexity: 526
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.2
- Topological Polar Surface Area: 105?2
Experimental Properties
- PSA: 105.2
1,2,4,5-Cyclohexanetetracarboxylic acid, tetrabutyl ester 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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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
650622-19-8 (1,2,4,5-Cyclohexanetetracarboxylic acid, tetrabutyl ester) Related Products
- 4630-82-4(Methyl cyclohexanecarboxylate)
- 10032-15-2(Hexyl 2-methylbutanoate)
- 103-23-1(Bis(2-ethylhexyl)adipate)
- 13149-00-3((3aR,7aS)-rel-Hexahydro-1,3-isobenzofurandione)
- 7452-79-1(Ethyl 2-methylbutyrate)
- 94-60-0(Dimethyl Cyclohexane-1,4-dicarboxylate(1,4-Cyclohexanedicarboxylic Dimethyl Ester))
- 85-42-7(octahydro-2-benzofuran-1,3-dione)
- 14924-53-9(Ethyl cyclobutanecarboxylate)
- 1687-29-2(Dimethyl cis-1,2-Cyclohexanedicarboxylate)
- 1187-74-2(Acetonyl-succinic Acid Diethyl Ester)
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