Cas no 53778-57-7 (4-Methyl-1-pentyn-1-ol)
4-Methyl-1-pentyn-1-ol structure
Product Name:4-Methyl-1-pentyn-1-ol
CAS No:53778-57-7
MF:C6H10O
MW:98.1430020332336
CID:2187210
PubChem ID:549820
Update Time:2024-02-29
4-Methyl-1-pentyn-1-ol Chemical and Physical Properties
Names and Identifiers
-
- 4-Methyl-1-pentyn-1-ol
- 1-Pentyn-1-ol, 4-methyl-
- 4-Methyl-1-pentyn-1-ol #
- SXTAQOLHVOVNKV-UHFFFAOYSA-N
- 53778-57-7
-
- Inchi： 1S/C6H10O/c1-6(2)4-3-5-7/h6-7H,4H2,1-2H3
- InChI Key： SXTAQOLHVOVNKV-UHFFFAOYSA-N
- SMILES： OC#CCC(C)C
Computed Properties
- Exact Mass: 98.073164938g/mol
- Monoisotopic Mass: 98.073164938g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- 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
- Topological Polar Surface Area: 20.2
- XLogP3: 2.1
4-Methyl-1-pentyn-1-ol Related Literature
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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