Cas no 78644-63-0 (Ethyl methyl (3-methylbutyl)propanedioate)
78644-63-0 structure
Product Name:Ethyl methyl (3-methylbutyl)propanedioate
CAS No:78644-63-0
MF:C11H20O4
MW:216.274104118347
CID:2802129
PubChem ID:71401610
Update Time:2025-04-21
Ethyl methyl (3-methylbutyl)propanedioate Chemical and Physical Properties
Names and Identifiers
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- DTXSID40822642
- 78644-63-0
- Ethyl methyl (3-methylbutyl)propanedioate
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- Inchi： 1S/C11H20O4/c1-5-15-11(13)9(10(12)14-4)7-6-8(2)3/h8-9H,5-7H2,1-4H3
- InChI Key： GCEFUPXTMPGQOC-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C(=O)OC)CCC(C)C)=O
Computed Properties
- Exact Mass: 216.13615911Da
- Monoisotopic Mass: 216.13615911Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 8
- Complexity: 211
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.8
- Topological Polar Surface Area: 52.6?2
Ethyl methyl (3-methylbutyl)propanedioate Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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