Cas no 121021-21-4 (Boronic acid, 1-hexynyl-, bis(1-methylethyl) ester)
121021-21-4 structure
Product Name:Boronic acid, 1-hexynyl-, bis(1-methylethyl) ester
CAS No:121021-21-4
MF:C12H23BO2
MW:210.120824098587
CID:1214126
PubChem ID:10899860
Update Time:2025-04-20
Boronic acid, 1-hexynyl-, bis(1-methylethyl) ester Chemical and Physical Properties
Names and Identifiers
-
- Boronic acid, 1-hexynyl-, bis(1-methylethyl) ester
- hex-1-ynyl-di(propan-2-yloxy)borane
- DIISOPROPYL HEX-1-YN-1-YLBORONATE
- DTXSID30447681
- SCHEMBL5952014
- 121021-21-4
-
- Inchi： 1S/C12H23BO2/c1-6-7-8-9-10-13(14-11(2)3)15-12(4)5/h11-12H,6-8H2,1-5H3
- InChI Key： XCIFBLKIMXIDIL-UHFFFAOYSA-N
- SMILES： O(B(C#CCCCC)OC(C)C)C(C)C
Computed Properties
- Exact Mass: 210.1791101g/mol
- Monoisotopic Mass: 210.1791101g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 7
- Complexity: 202
- 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
- Topological Polar Surface Area: 18.5?2
Boronic acid, 1-hexynyl-, bis(1-methylethyl) ester Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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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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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Jason Wan Lab Chip, 2020,20, 4528-4538
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