Cas no 919516-10-2 (1-Hexyn-3-ol, 5,5-dimethyl-3-(1-methylethyl)-)
919516-10-2 structure
Product Name:1-Hexyn-3-ol, 5,5-dimethyl-3-(1-methylethyl)-
CAS No:919516-10-2
MF:C11H20O
MW:168.275903701782
CID:762204
PubChem ID:71424984
Update Time:2025-04-19
1-Hexyn-3-ol, 5,5-dimethyl-3-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Hexyn-3-ol, 5,5-dimethyl-3-(1-methylethyl)-
- 5,5-dimethyl-3-propan-2-ylhex-1-yn-3-ol
- 5,5-Dimethyl-3-(propan-2-yl)hex-1-yn-3-ol
- DTXSID60843773
- 919516-10-2
-
- Inchi： 1S/C11H20O/c1-7-11(12,9(2)3)8-10(4,5)6/h1,9,12H,8H2,2-6H3
- InChI Key： CZBCNHCAEMOVGN-UHFFFAOYSA-N
- SMILES： OC(C#C)(C(C)C)CC(C)(C)C
Computed Properties
- Exact Mass: 168.151415257g/mol
- Monoisotopic Mass: 168.151415257g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 189
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.9
- Topological Polar Surface Area: 20.2?2
1-Hexyn-3-ol, 5,5-dimethyl-3-(1-methylethyl)- Related Literature
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
919516-10-2 (1-Hexyn-3-ol, 5,5-dimethyl-3-(1-methylethyl)-) Related Products
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