Cas no 185757-91-9 (1-(3-Methoxy-3-methylbut-1-yn-1-yl)-2,3,4,5,6-pentamethylbenzene)
185757-91-9 structure
Product Name:1-(3-Methoxy-3-methylbut-1-yn-1-yl)-2,3,4,5,6-pentamethylbenzene
CAS No:185757-91-9
MF:C17H24O
MW:244.371865272522
CID:2785367
PubChem ID:71348642
Update Time:2025-04-21
1-(3-Methoxy-3-methylbut-1-yn-1-yl)-2,3,4,5,6-pentamethylbenzene Chemical and Physical Properties
Names and Identifiers
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- DTXSID70774529
- 1-(3-Methoxy-3-methylbut-1-yn-1-yl)-2,3,4,5,6-pentamethylbenzene
- 185757-91-9
-
- Inchi： 1S/C17H24O/c1-11-12(2)14(4)16(15(5)13(11)3)9-10-17(6,7)18-8/h1-8H3
- InChI Key： XGVLFVSZVYSIPA-UHFFFAOYSA-N
- SMILES： O(C)C(C)(C)C#CC1C(C)=C(C)C(C)=C(C)C=1C
Computed Properties
- Exact Mass: 244.182715385Da
- Monoisotopic Mass: 244.182715385Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 327
- 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
- XLogP3: 4.4
- Topological Polar Surface Area: 9.2?2
1-(3-Methoxy-3-methylbut-1-yn-1-yl)-2,3,4,5,6-pentamethylbenzene Related Literature
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Hailing Chen,Lu Yin,Meng Liu,Laibing Wang,Michiya Fujiki,Wei Zhang RSC Adv., 2019,9, 4849-4856
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Xiao Liu,Jun Xu,Yinyun Lv,Wenyu Wu,Weisheng Liu,Yu Tang Dalton Trans., 2013,42, 9840-9846
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