Cas no 40122-96-1 (2,4-Dimethylcyclohex-2-en-1-one)
40122-96-1 structure
Product Name:2,4-Dimethylcyclohex-2-en-1-one
CAS No:40122-96-1
MF:C8H12O
MW:124.180282592773
CID:2631647
PubChem ID:13149429
Update Time:2025-04-21
2,4-Dimethylcyclohex-2-en-1-one Chemical and Physical Properties
Names and Identifiers
-
- 2,4-dimethylcyclohex-2-en-1-one
- 40122-96-1
- TVHHCKFOVFGZBC-UHFFFAOYSA-N
- DTXCID90472979
- DTXSID20522173
- SCHEMBL3864907
- 2,4-Dimethyl-2-cyclohexen-1-one
- 2,4-Dimethylcyclohex-2-en-1-one
-
- Inchi： 1S/C8H12O/c1-6-3-4-8(9)7(2)5-6/h5-6H,3-4H2,1-2H3
- InChI Key： TVHHCKFOVFGZBC-UHFFFAOYSA-N
- SMILES： O=C1C(C)=CC(C)CC1
Computed Properties
- Exact Mass: 124.088815002g/mol
- Monoisotopic Mass: 124.088815002g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 156
- 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: 1.6
- Topological Polar Surface Area: 17.1?2
2,4-Dimethylcyclohex-2-en-1-one Related Literature
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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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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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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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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