Cas no 64137-46-8 (2-Furandodecanoic acid, 5-ethyl-, methyl ester)
64137-46-8 structure
Product Name:2-Furandodecanoic acid, 5-ethyl-, methyl ester
CAS No:64137-46-8
MF:C19H32O3
MW:308.455586433411
CID:424905
PubChem ID:71380438
Update Time:2025-04-19
2-Furandodecanoic acid, 5-ethyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Furandodecanoic acid, 5-ethyl-, methyl ester
- methyl 12-(5-ethylfuran-2-yl)dodecanoate
- 64137-46-8
- DTXSID70802952
-
- Inchi： 1S/C19H32O3/c1-3-17-15-16-18(22-17)13-11-9-7-5-4-6-8-10-12-14-19(20)21-2/h15-16H,3-14H2,1-2H3
- InChI Key： QURMOMDMJYYWPZ-UHFFFAOYSA-N
- SMILES： O1C(CC)=CC=C1CCCCCCCCCCCC(=O)OC
Computed Properties
- Exact Mass: 308.23526
- Monoisotopic Mass: 308.23514488g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 22
- Rotatable Bond Count: 14
- Complexity: 278
- 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
- XLogP3: 6.4
- Topological Polar Surface Area: 39.4?2
Experimental Properties
- PSA: 39.44
2-Furandodecanoic acid, 5-ethyl-, methyl ester Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
64137-46-8 (2-Furandodecanoic acid, 5-ethyl-, methyl ester) Related Products
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