Cas no 51335-74-1 (1,3-Dioxane-5,5-dicarboxylic acid, 2-methyl-, diethyl ester)
51335-74-1 structure
Product Name:1,3-Dioxane-5,5-dicarboxylic acid, 2-methyl-, diethyl ester
CAS No:51335-74-1
MF:C11H18O6
MW:246.257024288177
CID:362516
PubChem ID:15130485
Update Time:2025-04-19
1,3-Dioxane-5,5-dicarboxylic acid, 2-methyl-, diethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxane-5,5-dicarboxylic acid, 2-methyl-, diethyl ester
- diethyl 2-methyl-1,3-dioxane-5,5-dicarboxylate
- 51335-74-1
- DTXSID20568697
-
- Inchi： 1S/C11H18O6/c1-4-14-9(12)11(10(13)15-5-2)6-16-8(3)17-7-11/h8H,4-7H2,1-3H3
- InChI Key： QLLWNMSDPZGJJE-UHFFFAOYSA-N
- SMILES： O1C(C)OCC(C(=O)OCC)(C(=O)OCC)C1
Computed Properties
- Exact Mass: 246.11034
- Monoisotopic Mass: 246.11033829g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
- Complexity: 260
- 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: 0.7
- Topological Polar Surface Area: 71.1?2
Experimental Properties
- PSA: 71.06
1,3-Dioxane-5,5-dicarboxylic acid, 2-methyl-, diethyl ester Related Literature
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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