Cas no 100208-32-0 (Bis(2,2-dimethyl-1-(1-methylethyl)-3-(2-methyl-1-oxopropoxy)propyl) glutarate)
100208-32-0 structure
Product Name:Bis(2,2-dimethyl-1-(1-methylethyl)-3-(2-methyl-1-oxopropoxy)propyl) glutarate
CAS No:100208-32-0
MF:C29H52O8
MW:528.718390464783
CID:203954
PubChem ID:113436
Update Time:2025-04-19
Bis(2,2-dimethyl-1-(1-methylethyl)-3-(2-methyl-1-oxopropoxy)propyl) glutarate Chemical and Physical Properties
Names and Identifiers
-
- Bis(2,2-dimethyl-1-(1-methylethyl)-3-(2-methyl-1-oxopropoxy)propyl) glutarate
- bis[2,2,4-trimethyl-1-(2-methylpropanoyloxy)pentan-3-yl] pentanedioate
- bis[2,2-dimethyl-1-(1-methylethyl)-3-(2-methyl-1-oxopropoxy)propyl] glutarate
- AC1L3D8K
- ACMC-20m3a0
- AG-D-04575
- BIS(2,2-DIMETHYL-1-(ISOPROPYL)-3-(2-METHYL-1-OXOPROPOXY)PROPYL) GLUTARATE
- CTK0I0952
- EINECS 309-233-5
- Pentanedioic acid bis[2,2-dimethyl-1-(1-methylethyl)-3-(2-methyl-1-oxopropoxy)propyl] ester
- NS00066617
- Bis{2,2,4-trimethyl-1-[(2-methylpropanoyl)oxy]pentan-3-yl} pentanedioate
- DTXSID40905262
- Bis[2,2-dimethyl-1-(1-methylethyl)-3-(2-methyl-1-oxopropoxy)propyl]glutarate
- 100208-32-0
-
- Inchi： 1S/C29H52O8/c1-18(2)24(28(9,10)16-34-26(32)20(5)6)36-22(30)14-13-15-23(31)37-25(19(3)4)29(11,12)17-35-27(33)21(7)8/h18-21,24-25H,13-17H2,1-12H3
- InChI Key： RNKJNASTTQKQFT-UHFFFAOYSA-N
- SMILES： O(C(CCCC(=O)OC(C(C)C)C(C)(C)COC(C(C)C)=O)=O)C(C(C)C)C(C)(C)COC(C(C)C)=O
Computed Properties
- Exact Mass: 528.36636
- Monoisotopic Mass: 528.366
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 37
- Rotatable Bond Count: 20
- Complexity: 687
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 7.3
- Topological Polar Surface Area: 105?2
Experimental Properties
- Density: 1.009
- Boiling Point: 547.9°Cat760mmHg
- Flash Point: 224.2°C
- Refractive Index: 1.459
- PSA: 105.2
Bis(2,2-dimethyl-1-(1-methylethyl)-3-(2-methyl-1-oxopropoxy)propyl) glutarate Related Literature
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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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
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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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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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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