Cas no 192823-02-2 ((2S)-2-(Ethoxycarbonyl)-3,3-dimethylpentanoate)
192823-02-2 structure
Product Name:(2S)-2-(Ethoxycarbonyl)-3,3-dimethylpentanoate
CAS No:192823-02-2
MF:C10H17O4
MW:201.239583730698
CID:2787861
PubChem ID:71347366
Update Time:2025-04-21
(2S)-2-(Ethoxycarbonyl)-3,3-dimethylpentanoate Chemical and Physical Properties
Names and Identifiers
-
- 192823-02-2
- DTXSID00773308
- (2S)-2-(Ethoxycarbonyl)-3,3-dimethylpentanoate
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- Inchi： 1S/C10H18O4/c1-5-10(3,4)7(8(11)12)9(13)14-6-2/h7H,5-6H2,1-4H3,(H,11,12)/p-1/t7-/m0/s1
- InChI Key： KCQKEUXVNIXAAG-ZETCQYMHSA-M
- SMILES： O(CC)C([C@H](C(=O)[O-])C(C)(C)CC)=O
Computed Properties
- Exact Mass: 201.11268402Da
- Monoisotopic Mass: 201.11268402Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 215
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.1
- Topological Polar Surface Area: 66.4?2
(2S)-2-(Ethoxycarbonyl)-3,3-dimethylpentanoate Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
192823-02-2 ((2S)-2-(Ethoxycarbonyl)-3,3-dimethylpentanoate) Related Products
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