Cas no 62203-69-4 (Decanoic acid, 1-[[(2-methyl-1-oxo-2-propenyl)oxy]methyl]hexyl ester)
![Decanoic acid, 1-[[(2-methyl-1-oxo-2-propenyl)oxy]methyl]hexyl ester structure](https://ossimg.kuujia.com/scimg/62500/62203-69-4x500.png)
62203-69-4 structure
Product Name:Decanoic acid, 1-[[(2-methyl-1-oxo-2-propenyl)oxy]methyl]hexyl ester
CAS No:62203-69-4
MF:C21H38O4
MW:354.524027347565
CID:454602
PubChem ID:71388891
Update Time:2025-04-19
Decanoic acid, 1-[[(2-methyl-1-oxo-2-propenyl)oxy]methyl]hexyl ester Chemical and Physical Properties
Names and Identifiers
-
- Decanoic acid, 1-[[(2-methyl-1-oxo-2-propenyl)oxy]methyl]hexyl ester
- 1-(2-methylprop-2-enoyloxy)heptan-2-yl decanoate
- 62203-69-4
- 1-[(2-Methylacryloyl)oxy]heptan-2-yl decanoate
- DTXSID60810940
-
- Inchi： 1S/C21H38O4/c1-5-7-9-10-11-12-14-16-20(22)25-19(15-13-8-6-2)17-24-21(23)18(3)4/h19H,3,5-17H2,1-2,4H3
- InChI Key： MEXIUPNFMVKSNK-UHFFFAOYSA-N
- SMILES： O(C(CCCCCCCCC)=O)C(COC(C(=C)C)=O)CCCCC
Computed Properties
- Exact Mass: 354.27714
- Monoisotopic Mass: 354.27700969g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 25
- Rotatable Bond Count: 18
- Complexity: 376
- 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: 7.4
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
Decanoic acid, 1-[[(2-methyl-1-oxo-2-propenyl)oxy]methyl]hexyl ester Related Literature
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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5. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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