Cas no 62016-34-6 (Octane,2,3,7-trimethyl-)
Octane,2,3,7-trimethyl- structure
Product Name:Octane,2,3,7-trimethyl-
Octane,2,3,7-trimethyl- Chemical and Physical Properties
Names and Identifiers
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- Octane,2,3,7-trimethyl-
- 2,3,7-trimethyloctane
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- Inchi： 1S/C11H24/c1-9(2)7-6-8-11(5)10(3)4/h9-11H,6-8H2,1-5H3
- InChI Key： XJKKSYAVEVAGFX-UHFFFAOYSA-N
- SMILES： C(C)(C(C)C)CCCC(C)C
Computed Properties
- Exact Mass: 156.18792
- Monoisotopic Mass: 156.187801
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 82
- 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
- Topological Polar Surface Area: 0
- XLogP3: 5.3
Experimental Properties
- Density: 0.7411
- Melting Point: -57.06°C (estimate)
- Boiling Point: 179°C
- Flash Point: 56.3°C
- Refractive Index: 1.4162
- PSA: 0
Octane,2,3,7-trimethyl- Related Literature
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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