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2-Methoxy-4,4,5,5-Tetramethyl-1,3,2-Dioxaborolane
CAS: 1195-66-0 | C7H15BO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1195-66-0
Molecular Formula:
C7H15BO3
Molecular Mass:
158.01 g/mol
Names and Synonyms:
2-Methoxy-4,4,5,5-Tetramethyl-1,3,2-Dioxaborolane
1,3,2-Dioxaborolane, 2-methoxy-4,4,5,5-tetramethyl-
Boric acid, cyclic tetramethylethylene methyl ester
2-Methoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Methoxyboronic acid pinacol ester
Identifiers:
SMILES:
COB1OC(C)(C)C(C)(C)O1
InChI:
InChI=1S/C7H15BO3/c1-6(2)7(3,4)11-8(9-5)10-6/h1-5H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 158.01 g/mol | CAS Common Chemistry |
| 158.00599999999997 g/mol | RDKit | |
| 158.11142474 g/mol | RDKit | |
| Canonical SMILES | O(B1OC(C)(C)C(O1)(C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H15BO3/c1-6(2)7(3,4)11-8(9-5)10-6/h1-5H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JZZJAWSMSXCSIB-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Methoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 1.2216999999999998 | RDKit |
| Molar Refractivity | 43.09100000000002 | RDKit |
