Cas no 59373-71-6 (5-Decanone, 6-ethyl-6-hydroxy-)
59373-71-6 structure
Product Name:5-Decanone, 6-ethyl-6-hydroxy-
CAS No:59373-71-6
MF:C12H24O2
MW:200.317764282227
CID:338867
PubChem ID:71442973
Update Time:2025-04-19
5-Decanone, 6-ethyl-6-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 5-Decanone, 6-ethyl-6-hydroxy-
- 6-ethyl-6-hydroxydecan-5-one
- DTXSID50851822
- 59373-71-6
-
- Inchi： 1S/C12H24O2/c1-4-7-9-11(13)12(14,6-3)10-8-5-2/h14H,4-10H2,1-3H3
- InChI Key： ISEIDNHWQGGLDR-UHFFFAOYSA-N
- SMILES： OC(C(CCCC)=O)(CC)CCCC
Computed Properties
- Exact Mass: 200.17772
- Monoisotopic Mass: 200.177630004g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 8
- Complexity: 166
- 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: 3.2
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
5-Decanone, 6-ethyl-6-hydroxy- Related Literature
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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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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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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