Cas no 88438-11-3 (Hexanedioic acid, 3-(1,1,3-trimethylbutyl)-)
88438-11-3 structure
Product Name:Hexanedioic acid, 3-(1,1,3-trimethylbutyl)-
CAS No:88438-11-3
MF:C13H24O4
MW:244.327264785767
CID:632799
PubChem ID:71317934
Update Time:2025-04-19
Hexanedioic acid, 3-(1,1,3-trimethylbutyl)- Chemical and Physical Properties
Names and Identifiers
-
- Hexanedioic acid, 3-(1,1,3-trimethylbutyl)-
- 3-(2,4-dimethylpentan-2-yl)hexanedioic acid
- DTXSID30748145
- 88438-11-3
- SCHEMBL11204145
-
- Inchi： 1S/C13H24O4/c1-9(2)8-13(3,4)10(7-12(16)17)5-6-11(14)15/h9-10H,5-8H2,1-4H3,(H,14,15)(H,16,17)
- InChI Key： OVFVGVIAZYIGLL-UHFFFAOYSA-N
- SMILES： OC(CC(CCC(=O)O)C(C)(C)CC(C)C)=O
Computed Properties
- Exact Mass: 244.16745924g/mol
- Monoisotopic Mass: 244.16745924g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 8
- Complexity: 269
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.9
- Topological Polar Surface Area: 74.6?2
Hexanedioic acid, 3-(1,1,3-trimethylbutyl)- Related Literature
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
88438-11-3 (Hexanedioic acid, 3-(1,1,3-trimethylbutyl)-) Related Products
- 1338-24-5(Naphthenic acids)
- 626-51-7(3-Methylglutaric acid)
- 4839-46-7(3,3-Dimethylglutaric Acid)
- 140-77-2(3-Cyclopentylpropionic acid)
- 646-07-1(4-Methylpentanoic acid)
- 1730-92-3((3S)-3-methylpentanoic acid)
- 1070-83-3(3,3-Dimethylbutyric acid)
- 3058-01-3(3-Methyladipic acid)
- 681-57-2(2,2-Dimethylglutaric acid)
- 105-43-1(3-methylpentanoic acid)
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