Cas no 59454-32-9 (2-Cyclotridecen-1-one)
2-Cyclotridecen-1-one structure
Product Name:2-Cyclotridecen-1-one
CAS No:59454-32-9
MF:C13H22O
MW:194.313184261322
CID:338633
PubChem ID:53440836
Update Time:2025-04-19
2-Cyclotridecen-1-one Chemical and Physical Properties
Names and Identifiers
-
- 2-Cyclotridecen-1-one
- cyclotridec-2-en-1-one
- 59454-32-9
- DTXSID30702843
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- Inchi： 1S/C13H22O/c14-13-11-9-7-5-3-1-2-4-6-8-10-12-13/h9,11H,1-8,10,12H2
- InChI Key： GPZWCHONRYSILX-UHFFFAOYSA-N
- SMILES： O=C1C=CCCCCCCCCCC1
Computed Properties
- Exact Mass: 194.16716
- Monoisotopic Mass: 194.167065321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 182
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 4.7
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
2-Cyclotridecen-1-one Related Literature
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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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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3. 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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L. Di Michele,D. Fiocco,F. Varrato,E. Eiser,G. Foffi Soft Matter, 2014,10, 3633-3648
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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