Cas no 125563-02-2 (Diethyl isobutyl methanetricarboxylate)
125563-02-2 structure
Product Name:Diethyl isobutyl methanetricarboxylate
CAS No:125563-02-2
MF:C12H20O6
MW:260.283604621887
CID:2900517
Update Time:2023-08-10
Diethyl isobutyl methanetricarboxylate Chemical and Physical Properties
Names and Identifiers
-
- diethyl isobutyl methanetricarboxylate
- Diethyl isobutyl methanetricarboxylate
-
- Inchi： 1S/C12H20O6/c1-5-16-10(13)9(11(14)17-6-2)12(15)18-7-8(3)4/h8-9H,5-7H2,1-4H3
- InChI Key： MNRBOUODGGKMNF-UHFFFAOYSA-N
- SMILES： O(C(C(C(=O)OCC)C(=O)OCC)=O)CC(C)C
Computed Properties
- Exact Mass: 260.12598835 g/mol
- Monoisotopic Mass: 260.12598835 g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 18
- Rotatable Bond Count: 10
- Complexity: 279
- 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: 2.3
- Topological Polar Surface Area: 78.9
- Molecular Weight: 260.28
Diethyl isobutyl methanetricarboxylate Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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