Cas no 61720-58-9 (Pentanoic acid, 5-oxo-, 1-methylethyl ester)
61720-58-9 structure
Product Name:Pentanoic acid, 5-oxo-, 1-methylethyl ester
CAS No:61720-58-9
MF:C8H14O3
MW:158.194962978363
CID:468409
PubChem ID:71392899
Update Time:2025-04-19
Pentanoic acid, 5-oxo-, 1-methylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Pentanoic acid, 5-oxo-, 1-methylethyl ester
- propan-2-yl 5-oxopentanoate
- DTXSID80814687
- 61720-58-9
-
- Inchi： 1S/C8H14O3/c1-7(2)11-8(10)5-3-4-6-9/h6-7H,3-5H2,1-2H3
- InChI Key： QJXPVSVXECBALX-UHFFFAOYSA-N
- SMILES： O(C(CCCC=O)=O)C(C)C
Computed Properties
- Exact Mass: 158.09432
- Monoisotopic Mass: 158.094294304g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 6
- Complexity: 129
- 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: 0.6
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
Pentanoic acid, 5-oxo-, 1-methylethyl ester Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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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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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
61720-58-9 (Pentanoic acid, 5-oxo-, 1-methylethyl ester) Related Products
- 110-38-3(Ethyl decanoate)
- 110-40-7(Diethyl decanedioate)
- 104-50-7(4-Octanolide)
- 104-67-6(4-Undecanolide)
- 106-32-1(Ethyl n-Caprylate)
- 106-02-5(ω-Pentadecalactone)
- 106-30-9(Ethyl Heptanoate(Heptanoic Acid Ethyl Ester))
- 106-33-2(Ethyl Laurate(Ethyl Dodecanoate))
- 109-43-3(dibutyl sebacate)
- 123-29-5(Ethyl nonanoate)
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