Cas no 999-79-1 (2-Pentyne, 4-chloro-4-methyl-)
2-Pentyne, 4-chloro-4-methyl- structure
Product Name:2-Pentyne, 4-chloro-4-methyl-
2-Pentyne, 4-chloro-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pentyne, 4-chloro-4-methyl-
- 4-chloro-4-methylpent-2-yne
- NSC-525131
- DTXSID80404264
- 4-chloro-4-methyl-pent-2-yne
- NSC525131
- 999-79-1
-
- Inchi： 1S/C6H9Cl/c1-4-5-6(2,3)7/h1-3H3
- InChI Key： NSISWGKYJIDLAQ-UHFFFAOYSA-N
- SMILES： ClC(C#CC)(C)C
Computed Properties
- Exact Mass: 116.0392780g/mol
- Monoisotopic Mass: 116.0392780g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 7
- Rotatable Bond Count: 0
- Complexity: 111
- 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: 0?2
2-Pentyne, 4-chloro-4-methyl- Related Literature
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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