Cas no 73489-84-6 (diethyl 3-hydroxy-3-methylglutarate)
73489-84-6 structure
Product Name:diethyl 3-hydroxy-3-methylglutarate
CAS No:73489-84-6
MF:C10H18O5
MW:218.246923923492
CID:855023
PubChem ID:3018443
Update Time:2025-04-19
diethyl 3-hydroxy-3-methylglutarate Chemical and Physical Properties
Names and Identifiers
-
- diethyl 3-hydroxy-3-methylglutarate
- 3-Hydroxy-3-methylpentanedioic acid diethyl ester
- diethyl 3-hydroxy-3-methylpentanedioate
- 3-Hydroxy-3-methyl-glutaric acid diethyl ester
- 3-Hydroxy-3-methyl-glutarsaeure-diaethylester
- EINECS 277-481-0
- NS00060270
- CHEMBL156298
- FT-0718710
- DTXSID30994246
- 73489-84-6
-
- Inchi： 1S/C10H18O5/c1-4-14-8(11)6-10(3,13)7-9(12)15-5-2/h13H,4-7H2,1-3H3
- InChI Key： RFTWLMJKXJXJSI-UHFFFAOYSA-N
- SMILES： OC(C)(CC(=O)OCC)CC(=O)OCC
Computed Properties
- Exact Mass: 218.11500
- Monoisotopic Mass: 218.115
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 8
- Complexity: 204
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 0.2
- Topological Polar Surface Area: 72.8A^2
Experimental Properties
- Density: 1.101
- Boiling Point: 307.3°Cat760mmHg
- Flash Point: 307.3°Cat760mmHg
- Refractive Index: 1.451
- PSA: 72.83000
- LogP: 0.64380
diethyl 3-hydroxy-3-methylglutarate Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
-
Weixuan Zeng,Ouissam El Bakouri,Henrik Ottosson Chem. Sci., 2021,12, 6159-6171
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Bo Chen,Xiaotong Shen,Zhangfeng Luo,Di Cai,Changjing Chen,Changwei Zhang,Peiyong Qin,Hui Cao,Tianwei Tan RSC Adv., 2018,8, 25602-25610
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