Cas no 90122-00-2 (Pentanal, 2-ethyl-2-methyl-4-oxo-)
90122-00-2 structure
Product Name:Pentanal, 2-ethyl-2-methyl-4-oxo-
CAS No:90122-00-2
MF:C8H14O2
MW:142.195562839508
CID:793923
PubChem ID:13227068
Update Time:2025-04-19
Pentanal, 2-ethyl-2-methyl-4-oxo- Chemical and Physical Properties
Names and Identifiers
-
- Pentanal, 2-ethyl-2-methyl-4-oxo-
- 2-ethyl-2-methyl-4-oxopentanal
- DTXSID10530106
- SCHEMBL2322940
- 90122-00-2
-
- Inchi： 1S/C8H14O2/c1-4-8(3,6-9)5-7(2)10/h6H,4-5H2,1-3H3
- InChI Key： XZQIQTUPIPWIDY-UHFFFAOYSA-N
- SMILES： O=CC(C)(CC(C)=O)CC
Computed Properties
- Exact Mass: 142.099379685g/mol
- Monoisotopic Mass: 142.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 140
- 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: 0.6
- Topological Polar Surface Area: 34.1?2
Pentanal, 2-ethyl-2-methyl-4-oxo- Related Literature
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
-
Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
-
James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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