Cas no 59378-98-2 (Pentanedioic acid, 1,1-dimethylethyl methyl ester)
59378-98-2 structure
Product Name:Pentanedioic acid, 1,1-dimethylethyl methyl ester
CAS No:59378-98-2
MF:C10H18O4
MW:202.247523784637
CID:338855
PubChem ID:13202485
Update Time:2025-04-19
Pentanedioic acid, 1,1-dimethylethyl methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Pentanedioic acid, 1,1-dimethylethyl methyl ester
- 5-O-tert-butyl 1-O-methyl pentanedioate
- 59378-98-2
- SCHEMBL1233167
- DTXSID50527171
- methyl t-butyl pentanedioate
- tert-Butyl methyl pentanedioate
- 1-TERT-BUTYL 5-METHYL PENTANEDIOATE
-
- Inchi： 1S/C10H18O4/c1-10(2,3)14-9(12)7-5-6-8(11)13-4/h5-7H2,1-4H3
- InChI Key： ZNMUHPHODGHQOX-UHFFFAOYSA-N
- SMILES： O(C(CCCC(=O)OC)=O)C(C)(C)C
Computed Properties
- Exact Mass: 202.12054
- Monoisotopic Mass: 202.12050905g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 7
- Complexity: 203
- 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: 1.6
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
Pentanedioic acid, 1,1-dimethylethyl methyl ester Related Literature
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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
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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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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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
59378-98-2 (Pentanedioic acid, 1,1-dimethylethyl methyl ester) Related Products
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