Cas no 2344-23-2 (Boronic acid, hexyl-, dimethyl ester)
2344-23-2 structure
Product Name:Boronic acid, hexyl-, dimethyl ester
CAS No:2344-23-2
MF:C8H19BO2
MW:158.046262979507
CID:1414209
PubChem ID:529041
Update Time:2025-04-20
Boronic acid, hexyl-, dimethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Boronic acid, hexyl-, dimethyl ester
- hexyl(dimethoxy)borane
- 2344-23-2
- hexyl-dimethoxyborane
- dimethyl 1-hexaneboronate
- Borane, dimethoxy, hexyl
- NEGKMWMOGLVJDA-UHFFFAOYSA-N
- DTXSID50336088
- SCHEMBL734629
- dimethyl hexylboronate
-
- Inchi： 1S/C8H19BO2/c1-4-5-6-7-8-9(10-2)11-3/h4-8H2,1-3H3
- InChI Key： NEGKMWMOGLVJDA-UHFFFAOYSA-N
- SMILES： O(B(CCCCCC)OC)C
Computed Properties
- Exact Mass: 157.15147
- Monoisotopic Mass: 158.1478100g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 7
- Complexity: 74.5
- 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
Experimental Properties
- PSA: 18.46
- LogP: 2.34770
Boronic acid, hexyl-, dimethyl ester Related Literature
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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