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2-(2-Bromoethoxy)Tetrahydro-2H-Pyran
CAS: 17739-45-6 | C7H13BrO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
17739-45-6
Molecular Formula:
C7H13BrO2
Molecular Mass:
209.08 g/mol
Names and Synonyms:
2-(2-Bromoethoxy)Tetrahydro-2H-Pyran
2H-Pyran, 2-(2-bromoethoxy)tetrahydro-
2-(2-Bromoethoxy)tetrahydro-2H-pyran
2-(2-Bromoethoxy)tetrahydropyran
2-[(Tetrahydropyran-2-yl)oxy]ethyl bromide
2-Bromo-1-(tetrahydropyran-2-yloxy)ethane
2-Bromoethanol tetrahydropyranyl ether
2-Bromoethyl 2-tetrahydropyranyl ether
2-Tetrahydropyranyl 2-bromoethyl ether
1-Bromo-2-(2-tetrahydropyranyloxy)ethane
1-Bromo-2-(tetrahydropyranyloxy)ethane
1-(Tetrahydropyran-2-yloxy)-2-bromoethane
NSC 216078
2-[(2-Bromoethyl)oxy]tetrahydro-2H-pyran
2-(2-Bromoethoxy)oxane
Identifiers:
SMILES:
BrCCOC1CCCCO1
InChI:
InChI=1S/C7H13BrO2/c8-4-6-10-7-3-1-2-5-9-7/h7H,1-6H2
Key Properties
Boiling Point
75 °C @ Press: 1 Torr
CAS Common Chemistry
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 | 209.08 g/mol | CAS Common Chemistry |
| 209.08299999999994 g/mol | RDKit | |
| 208.009891756 g/mol | RDKit | |
| Boiling Point | 75 °C @ Press: 1 Torr | CAS Common Chemistry |
| Canonical SMILES | BrCCOC1OCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H13BrO2/c8-4-6-10-7-3-1-2-5-9-7/h7H,1-6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=GCUOLJOTJRUDIZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-(2-Bromoethoxy)tetrahydro-2H-pyran | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 18.46 Ų | RDKit |
| LogP | 1.9244999999999999 | RDKit |
| Molar Refractivity | 43.337000000000025 | RDKit |
