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Molecule
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
Identifiers
CAS Registry Number
17739-45-6
SMILES
BrCCOC1CCCCO1
InChI Key
GCUOLJOTJRUDIZ-UHFFFAOYSA-N
InChI
InChI=1S/C7H13BrO2/c8-4-6-10-7-3-1-2-5-9-7/h7H,1-6H2
Names and Synonyms
- 2-(2-Bromoethoxy)Tetrahydro-2H-Pyran Synonym
- 2H-Pyran, 2-(2-bromoethoxy)tetrahydro- Synonym
- 2-(2-Bromoethoxy)tetrahydro-2H-pyran Synonym
- 2-(2-Bromoethoxy)tetrahydropyran Synonym
- 2-[(Tetrahydropyran-2-yl)oxy]ethyl bromide Synonym
- 2-Bromo-1-(tetrahydropyran-2-yloxy)ethane Synonym
- 2-Bromoethanol tetrahydropyranyl ether Synonym
- 2-Bromoethyl 2-tetrahydropyranyl ether Synonym
- 2-Tetrahydropyranyl 2-bromoethyl ether Synonym
- 1-Bromo-2-(2-tetrahydropyranyloxy)ethane Synonym
- 1-Bromo-2-(tetrahydropyranyloxy)ethane Synonym
- 1-(Tetrahydropyran-2-yloxy)-2-bromoethane Synonym
- NSC 216078 Synonym
- 2-[(2-Bromoethyl)oxy]tetrahydro-2H-pyran Synonym
- 2-(2-Bromoethoxy)oxane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 209.08 g/mol | CAS Common Chemistry |
| 209.08299999999994 g/mol | RDKit | |
| 209.083 g/mol | RDKit | |
| 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 |
| 1.9245 | RDKit | |
| Molar Refractivity | 43.337000000000025 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 208.009891756 g/mol | RDKit |
| Boiling Point | 75 °C @ 1 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 209.08 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H13BrO2.
