Cas no 55755-14-1 (1-Butyne, 1-methoxy-3-methyl-)
1-Butyne, 1-methoxy-3-methyl- structure
Product Name:1-Butyne, 1-methoxy-3-methyl-
CAS No:55755-14-1
MF:C6H10O
MW:98.1430020332336
CID:350982
PubChem ID:11051585
Update Time:2025-04-19
1-Butyne, 1-methoxy-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1-Butyne, 1-methoxy-3-methyl-
- 1-methoxy-3-methylbut-1-yne
- 1-Butyne,1-methoxy-3-methyl
- 1-Methoxy-3-methyl-but-1-in
- 55755-14-1
- DTXSID60453290
-
- Inchi： 1S/C6H10O/c1-6(2)4-5-7-3/h6H,1-3H3
- InChI Key： USESYFYZANCBGX-UHFFFAOYSA-N
- SMILES： O(C)C#CC(C)C
Computed Properties
- Exact Mass: 98.07320
- Monoisotopic Mass: 98.073164938g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 7
- Rotatable Bond Count: 1
- Complexity: 91.2
- 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: 2
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- PSA: 9.23000
- LogP: 1.24970
1-Butyne, 1-methoxy-3-methyl- Related Literature
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Ruili Liu,Mengping Gao,Jing Zhang,Zhilian Li,Jinyang Chen,Ping Liu,Dongqing Wu RSC Adv., 2015,5, 24205-24209
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
-
Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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