Cas no 919516-04-4 (1-Hexyn-3-ol, 3-(1,1-dimethylethyl)-5-methyl-)
919516-04-4 structure
Product Name:1-Hexyn-3-ol, 3-(1,1-dimethylethyl)-5-methyl-
CAS No:919516-04-4
MF:C11H20O
MW:168.275903701782
CID:762207
PubChem ID:71424987
Update Time:2025-04-19
1-Hexyn-3-ol, 3-(1,1-dimethylethyl)-5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1-Hexyn-3-ol, 3-(1,1-dimethylethyl)-5-methyl-
- 3-tert-butyl-5-methylhex-1-yn-3-ol
- DTXSID40843776
- 919516-04-4
-
- Inchi： 1S/C11H20O/c1-7-11(12,8-9(2)3)10(4,5)6/h1,9,12H,8H2,2-6H3
- InChI Key： VCHFNNHYSNBOHF-UHFFFAOYSA-N
- SMILES： OC(C#C)(CC(C)C)C(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, 3-(1,1-dimethylethyl)-5-methyl- Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
919516-04-4 (1-Hexyn-3-ol, 3-(1,1-dimethylethyl)-5-methyl-) Related Products
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- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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