Cas no 6941-10-2 (Cyclohexaneethanol, a-ethynyl-a-methyl-)
6941-10-2 structure
Product Name:Cyclohexaneethanol, a-ethynyl-a-methyl-
Cyclohexaneethanol, a-ethynyl-a-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexaneethanol, a-ethynyl-a-methyl-
- SCHEMBL9691001
- 6941-10-2
- 1-cyclohexyl-2-methylbut-3-yn-2-ol
- NSC-60449
- DTXSID40964632
- NSC60449
- 5035-27-8
-
- Inchi： 1S/C11H18O/c1-3-11(2,12)9-10-7-5-4-6-8-10/h1,10,12H,4-9H2,2H3
- InChI Key： RRNGHMGNTNAULY-UHFFFAOYSA-N
- SMILES： OC(C#C)(C)CC1CCCCC1
Computed Properties
- Exact Mass: 166.136
- Monoisotopic Mass: 166.136
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 182
- 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
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- Density: 0.95
- Boiling Point: 246.5°Cat760mmHg
- Flash Point: 191.5°C
- Refractive Index: 1.486
- LogP: 2.34100
Cyclohexaneethanol, a-ethynyl-a-methyl- Related Literature
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
6941-10-2 (Cyclohexaneethanol, a-ethynyl-a-methyl-) Related Products
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