Cas no 81939-73-3 ((s)-4-pentyn-2-ol)
(s)-4-pentyn-2-ol structure
Product Name:(s)-4-pentyn-2-ol
(s)-4-pentyn-2-ol Chemical and Physical Properties
Names and Identifiers
-
- (s)-4-pentyn-2-ol
- 81939-73-3
- Q27286886
- AKOS006239531
- (2S)-4-pentyn-2-ol
- 4-Pentyn-2-ol, (S)-
- (2S)-PENT-4-YN-2-OL
- (s)-pent-4-yn-2-ol
- JTHLRRZARWSHBE-YFKPBYRVSA-N
- 4-Pentyn-2-ol, (+)-
- Q1E6R2D4EZ
- UNII-Q1E6R2D4EZ
- ETHYL2-CYANO-3-(FUR-2-YL)BUT-2-ENOATE,(CIS+TRANSISOMERS)
- 4-Pentyn-2-ol, (2S)-
-
- Inchi： 1S/C5H8O/c1-3-4-5(2)6/h1,5-6H,4H2,2H3/t5-/m0/s1
- InChI Key： JTHLRRZARWSHBE-YFKPBYRVSA-N
- SMILES： O[C@@H](C)CC#C
Computed Properties
- Exact Mass: 84.057514874g/mol
- Monoisotopic Mass: 84.057514874g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 6
- Rotatable Bond Count: 1
- Complexity: 67.3
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.6
- Topological Polar Surface Area: 20.2?2
(s)-4-pentyn-2-ol Related Literature
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Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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