Cas no 86089-22-7 (Decanoic acid, 2-hexyl-3-oxo-, methyl ester)
86089-22-7 structure
Product Name:Decanoic acid, 2-hexyl-3-oxo-, methyl ester
CAS No:86089-22-7
MF:C17H32O3
MW:284.43418598175
CID:1849970
PubChem ID:10913069
Update Time:2025-04-21
Decanoic acid, 2-hexyl-3-oxo-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Decanoic acid, 2-hexyl-3-oxo-, methyl ester
- methyl 2-hexyl-3-oxodecanoate
- DTXSID70448177
- SCHEMBL8635800
- 86089-22-7
-
- Inchi： 1S/C17H32O3/c1-4-6-8-10-12-14-16(18)15(17(19)20-3)13-11-9-7-5-2/h15H,4-14H2,1-3H3
- InChI Key： XTTBCJYEZQRYNZ-UHFFFAOYSA-N
- SMILES： O=C(CCCCCCC)C(C(=O)OC)CCCCCC
Computed Properties
- Exact Mass: 284.23514488g/mol
- Monoisotopic Mass: 284.23514488g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 14
- Complexity: 261
- 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: 6.1
- Topological Polar Surface Area: 43.4?2
Decanoic acid, 2-hexyl-3-oxo-, methyl ester Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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4. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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