Cas no 63494-49-5 (Propanedioic acid, (1,1-dimethyl-3-oxobutyl)-, diethyl ester)
63494-49-5 structure
Product Name:Propanedioic acid, (1,1-dimethyl-3-oxobutyl)-, diethyl ester
CAS No:63494-49-5
MF:C13H22O5
MW:258.310784816742
CID:426263
PubChem ID:11086418
Update Time:2025-04-19
Propanedioic acid, (1,1-dimethyl-3-oxobutyl)-, diethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanedioic acid, (1,1-dimethyl-3-oxobutyl)-, diethyl ester
- diethyl 2-(2-methyl-4-oxopentan-2-yl)propanedioate
- DTXSID60454747
- 63494-49-5
- ethyl 2-carboethoxy-3,3-dimethyl-5-oxohexanoate
-
- Inchi： 1S/C13H22O5/c1-6-17-11(15)10(12(16)18-7-2)13(4,5)8-9(3)14/h10H,6-8H2,1-5H3
- InChI Key： WHENBGJYERXCAW-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C(=O)OCC)C(C)(C)CC(C)=O)=O
Computed Properties
- Exact Mass: 258.14676
- Monoisotopic Mass: 258.14672380g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 9
- Complexity: 301
- 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: 1.7
- Topological Polar Surface Area: 69.7?2
Experimental Properties
- PSA: 69.67
Propanedioic acid, (1,1-dimethyl-3-oxobutyl)-, diethyl ester Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
63494-49-5 (Propanedioic acid, (1,1-dimethyl-3-oxobutyl)-, diethyl ester) Related Products
- 517-23-7(2-Acetylbutyrolactone)
- 1540-29-0(Ethyl 2-acetylhexanoate)
- 774-05-0(ethyl 2-oxocycloheptane-1-carboxylate)
- 3779-29-1(1,1-diethyl cyclobutane-1,1-dicarboxylate)
- 596-75-8(Diethyl dibutylmalonate)
- 607-97-6(Ethyl-2-ethylacetoacetate)
- 2163-48-6(Diethyl propylmalonate)
- 570-08-1(Diethyl 2-Acetylmalonate)
- 609-14-3(ethyl 2-methyl-3-oxobutanoate)
- 611-10-9(ethyl 2-oxocyclopentane-1-carboxylate)
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