Cas no 50638-98-7 (Undecanoic acid,1-methylethyl ester)
50638-98-7 structure
Product Name:Undecanoic acid,1-methylethyl ester
CAS No:50638-98-7
MF:C14H28O2
MW:228.370924949646
CID:374867
PubChem ID:3016538
Update Time:2025-04-19
Undecanoic acid,1-methylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Undecanoic acid,1-methylethyl ester
- isopropyl undecanoate
- propan-2-yl undecanoate
- UNII-WZ4A7755HE
- NS00032106
- SCHEMBL3503028
- WZ4A7755HE
- Undecanoic acid, isopropyl ester
- 50638-98-7
- DTXSID90198682
- 1-METHYLETHYL UNDECANOATE
- KJRRQERTCPYNMS-UHFFFAOYSA-N
- Undecanoic acid, 1-methylethyl ester
- EINECS 256-674-3
-
- Inchi： 1S/C14H28O2/c1-4-5-6-7-8-9-10-11-12-14(15)16-13(2)3/h13H,4-12H2,1-3H3
- InChI Key： KJRRQERTCPYNMS-UHFFFAOYSA-N
- SMILES： O(C(C)C)C(CCCCCCCCCC)=O
Computed Properties
- Exact Mass: 228.20904
- Monoisotopic Mass: 228.208930132g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 11
- Complexity: 164
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 5.5
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Undecanoic acid,1-methylethyl ester Related Literature
-
Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
-
Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
50638-98-7 (Undecanoic acid,1-methylethyl ester) Related Products
- 108-29-2(gamma-Valerolactone)
- 110-38-3(Ethyl decanoate)
- 104-50-7(4-Octanolide)
- 104-67-6(4-Undecanolide)
- 106-32-1(Ethyl n-Caprylate)
- 104-61-0(rac-γ-Nonanolactone)
- 106-02-5(ω-Pentadecalactone)
- 106-30-9(Ethyl Heptanoate(Heptanoic Acid Ethyl Ester))
- 106-33-2(Ethyl Laurate(Ethyl Dodecanoate))
- 123-29-5(Ethyl nonanoate)
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