Cas no 16151-41-0 (Ethyl 2-methyl-6-oxoheptanoate)
16151-41-0 structure
Product Name:Ethyl 2-methyl-6-oxoheptanoate
CAS No:16151-41-0
MF:C10H18O3
MW:186.248123645782
CID:2780407
PubChem ID:12561299
Update Time:2025-04-21
Ethyl 2-methyl-6-oxoheptanoate Chemical and Physical Properties
Names and Identifiers
-
- DTXSID00502599
- ETHYL 2-METHYL-6-OXOHEPTANOATE
- 16151-41-0
- Ethyl 2-methyl-6-oxoheptanoate
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- Inchi： 1S/C10H18O3/c1-4-13-10(12)8(2)6-5-7-9(3)11/h8H,4-7H2,1-3H3
- InChI Key： CADUAFULIPLANC-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C)CCCC(C)=O)=O
Computed Properties
- Exact Mass: 186.125594432Da
- Monoisotopic Mass: 186.125594432Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 7
- Complexity: 175
- 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: 1.4
- Topological Polar Surface Area: 43.4?2
Ethyl 2-methyl-6-oxoheptanoate Related Literature
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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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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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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