Cas no 88109-68-6 (3-Hexadecyn-1-ol)
3-Hexadecyn-1-ol structure
Product Name:3-Hexadecyn-1-ol
CAS No:88109-68-6
MF:C16H30O
MW:238.408805370331
CID:644713
PubChem ID:10610011
Update Time:2025-04-19
3-Hexadecyn-1-ol Chemical and Physical Properties
Names and Identifiers
-
- 3-Hexadecyn-1-ol
- hexadec-3-yn-1-ol
- 88109-68-6
- DTXSID70442493
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- Inchi： 1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-12,15-16H2,1H3
- InChI Key： ZBUDRNZTZVIXRW-UHFFFAOYSA-N
- SMILES： OCCC#CCCCCCCCCCCCC
Computed Properties
- Exact Mass: 238.229665576g/mol
- Monoisotopic Mass: 238.229665576g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 17
- Rotatable Bond Count: 11
- Complexity: 196
- 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: 6.5
- Topological Polar Surface Area: 20.2?2
3-Hexadecyn-1-ol Related Literature
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1. Exclusive enantioselective recognition of glucopyranosides by inherently chiral hemicryptophanes?Olivier Perraud,Alexandre Martinez,Jean-Pierre Dutasta Chem. Commun., 2011,47, 5861-5863
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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