Cas no 61103-72-8 (Benzene, 1-(2-propenyloxy)-4-(1,1,3,3-tetramethylbutyl)-)
61103-72-8 structure
Product Name:Benzene, 1-(2-propenyloxy)-4-(1,1,3,3-tetramethylbutyl)-
CAS No:61103-72-8
MF:C17H26O
MW:246.387745380402
CID:491773
PubChem ID:4358272
Update Time:2024-03-01
Benzene, 1-(2-propenyloxy)-4-(1,1,3,3-tetramethylbutyl)- Chemical and Physical Properties
Names and Identifiers
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- Benzene, 1-(2-propenyloxy)-4-(1,1,3,3-tetramethylbutyl)-
- 1-prop-2-enoxy-4-(2,4,4-trimethylpentan-2-yl)benzene
- ALLYL 4-TERT-OCTYLPHENYL ETHER
- 1-(2-Propen-1-yloxy)-4-(1,1,3,3-tetramethylbutyl)benzene
- Benzene, 1-(2-propen-1-yloxy)-4-(1,1,3,3-tetramethylbutyl)-
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- Inchi： 1S/C17H26O/c1-7-12-18-15-10-8-14(9-11-15)17(5,6)13-16(2,3)4/h7-11H,1,12-13H2,2-6H3
- InChI Key： JJKBEXZXMQRNOU-UHFFFAOYSA-N
- SMILES： C1(OCC=C)=CC=C(C(C)(C)CC(C)(C)C)C=C1
Computed Properties
- Exact Mass: 246.19848
- Monoisotopic Mass: 246.198
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 18
- Rotatable Bond Count: 6
- Complexity: 251
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 9.2A^2
- XLogP3: 5.9
Experimental Properties
- Density: 0.898±0.06 g/cm3(Predicted)
- Boiling Point: 323.0±21.0 °C(Predicted)
- PSA: 9.23
Benzene, 1-(2-propenyloxy)-4-(1,1,3,3-tetramethylbutyl)- Related Literature
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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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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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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