Cas no 921199-63-5 (Pentanoic acid, 2-acetyl-3-ethyl-5-oxo-, 1,1-dimethylethyl ester, (3R)-)
921199-63-5 structure
Product Name:Pentanoic acid, 2-acetyl-3-ethyl-5-oxo-, 1,1-dimethylethyl ester, (3R)-
CAS No:921199-63-5
MF:C13H22O4
MW:242.311384677887
CID:745483
PubChem ID:71422427
Update Time:2025-04-19
Pentanoic acid, 2-acetyl-3-ethyl-5-oxo-, 1,1-dimethylethyl ester, (3R)- Chemical and Physical Properties
Names and Identifiers
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- Pentanoic acid, 2-acetyl-3-ethyl-5-oxo-, 1,1-dimethylethyl ester, (3R)-
- tert-butyl (3R)-2-acetyl-3-ethyl-5-oxopentanoate
- 921199-63-5
- DTXSID00841455
-
- Inchi： 1S/C13H22O4/c1-6-10(7-8-14)11(9(2)15)12(16)17-13(3,4)5/h8,10-11H,6-7H2,1-5H3/t10-,11?/m0/s1
- InChI Key： BCPBXZRLMREMJJ-VUWPPUDQSA-N
- SMILES： O(C(C)(C)C)C(C(C(C)=O)[C@H](CC=O)CC)=O
Computed Properties
- Exact Mass: 242.15180918g/mol
- Monoisotopic Mass: 242.15180918g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 8
- Complexity: 288
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.8
- Topological Polar Surface Area: 60.4?2
Pentanoic acid, 2-acetyl-3-ethyl-5-oxo-, 1,1-dimethylethyl ester, (3R)- Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
921199-63-5 (Pentanoic acid, 2-acetyl-3-ethyl-5-oxo-, 1,1-dimethylethyl ester, (3R)-) Related Products
- 1522-34-5(Ethyl 2-acetyl-4-methylpentanoate)
- 1522-46-9(Ethyl 2-Isopropylacetoacetate)
- 1540-28-9(Ethyl 2-acetylpentanoate)
- 1540-29-0(Ethyl 2-acetylhexanoate)
- 774-05-0(ethyl 2-oxocycloheptane-1-carboxylate)
- 607-97-6(Ethyl-2-ethylacetoacetate)
- 1115-30-6(Diethyl acetylsuccinate)
- 1501-06-0(Diethyl 2-acetylglutarate)
- 24317-94-0(Ethyl 2-acetylheptanoate)
- 29214-60-6(Ethyl 2-acetyloctanoate)
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