Cas no 834905-95-2 (2-Butanone, 3-cyclohexyl-4-hydroxy-3-methyl-)
834905-95-2 structure
Product Name:2-Butanone, 3-cyclohexyl-4-hydroxy-3-methyl-
CAS No:834905-95-2
MF:C11H20O2
MW:184.275303840637
CID:670141
PubChem ID:11564585
Update Time:2025-04-19
2-Butanone, 3-cyclohexyl-4-hydroxy-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Butanone, 3-cyclohexyl-4-hydroxy-3-methyl-
- 3-cyclohexyl-4-hydroxy-3-methylbutan-2-one
- 834905-95-2
- DTXSID90468650
-
- Inchi： 1S/C11H20O2/c1-9(13)11(2,8-12)10-6-4-3-5-7-10/h10,12H,3-8H2,1-2H3
- InChI Key： ADMCJKZKXFSCHS-UHFFFAOYSA-N
- SMILES： OCC(C(C)=O)(C)C1CCCCC1
Computed Properties
- Exact Mass: 184.146329876g/mol
- Monoisotopic Mass: 184.146329876g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 183
- 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: 2.3
- Topological Polar Surface Area: 37.3?2
2-Butanone, 3-cyclohexyl-4-hydroxy-3-methyl- Related Literature
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
834905-95-2 (2-Butanone, 3-cyclohexyl-4-hydroxy-3-methyl-) Related Products
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