Cas no 94213-60-2 (5-cyclohexyl-1,4-methylhexan-3-one)
94213-60-2 structure
Product Name:5-cyclohexyl-1,4-methylhexan-3-one
CAS No:94213-60-2
MF:C13H24O
MW:196.329064369202
CID:1985221
Update Time:2022-09-22
5-cyclohexyl-1,4-methylhexan-3-one Chemical and Physical Properties
Names and Identifiers
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- 5-cyclohexyl-1,4-methylhexan-3-one
- 2-cyclohexylheptan-3-one
- 2-cyclohexylheptan-4-one,5-cyclohexyl-4-methylhexan-3-one
- 5-Cyclohexyl-4-methyl-3-hexanone
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- Inchi： 1S/C13H24O/c1-4-13(14)11(3)10(2)12-8-6-5-7-9-12/h10-12H,4-9H2,1-3H3
- InChI Key： BDIBAMAHAOIPBY-UHFFFAOYSA-N
- SMILES： CCC(=O)C(C)C(C1CCCCC1)C
Computed Properties
- Exact Mass: 196.182715
- Monoisotopic Mass: 196.182715
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 159
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 17.1
Experimental Properties
- Density: 0.885
- Boiling Point: 252.8°C at 760 mmHg
- Flash Point: 88.4°C
- Refractive Index: 1.454
5-cyclohexyl-1,4-methylhexan-3-one Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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5. Fe3O4/Au/Fe3O4 nanoflowers exhibiting tunable saturation magnetization and enhanced bioconjugationFeng Shi,Kunping Yan,Mingli Peng,Xiao Cheng,Yanling Luo,Xuemei Chen,V. A. L. Roy,Zuankai Wang Nanoscale, 2012,4, 747-751
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