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Molecule
Propargyl Tetrahydropyranyl Ether
CAS: 6089-04-9 · C8H12O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 6089-04-9
- Molecular Formula
- C8H12O2
- Molecular Mass
- 140.18 g/mol
Identifiers
CAS Registry Number
6089-04-9
SMILES
C#CCOC1CCCCO1
InChI Key
HQAXHIGPGBPPFU-UHFFFAOYSA-N
InChI
InChI=1S/C8H12O2/c1-2-6-9-8-5-3-4-7-10-8/h1,8H,3-7H2
Names and Synonyms
- Propargyl Tetrahydropyranyl Ether Common Name
- 2H-Pyran, tetrahydro-2-(2-propyn-1-yloxy)- Synonym
- 2H-Pyran, tetrahydro-2-(2-propynyloxy)- Synonym
- Pyran, tetrahydro-2-(2-propynyloxy)- Synonym
- Tetrahydro-2-(2-propyn-1-yloxy)-2H-pyran Synonym
- 3-(Tetrahydropyran-2-yloxy)prop-1-yne Synonym
- 1-(2′-Tetrahydropyranyloxy)-2-propyne Synonym
- Propargyl 2-tetrahydropyranyl ether Synonym
- Tetrahydro-2-(2-propynyloxy)-2H-pyran Synonym
- 1-Tetrahydropyran-2-yloxy-2-propyne Synonym
- 2-(Propargyloxy)tetrahydropyran Synonym
- 3-(2′-Tetrahydropyranyloxy)propyne Synonym
- 3-(Tetrahydro-2-pyranyloxy)propyne Synonym
- 2-(2-Propynyloxy)tetrahydropyran Synonym
- Propargyl alcohol tetrahydropyranyl ether Synonym
- 2-Propargyloxane Synonym
- 2-Propynyl tetrahydro-2-pyranyl ether Synonym
- 3-Tetrahydropyranyloxyprop-1-yne Synonym
- 1-(Tetrahydropyranyloxy)prop-2-yne Synonym
- Propargyl tetrahydropyranyl ether Synonym
- Tetrahydropyran-2-yloxypropyne Synonym
- 3-(Tetrahydropyranyloxy)propyne Synonym
- Tetrahydro-2-(2-propynyloxy)pyran Synonym
- (2-Propynyloxy)tetrahydropyran Synonym
- O-Tetrahydropyranylpropargyl alcohol Synonym
- 3,4,5,6-Tetrahydro-2-(2-propynyloxy)-2H-pyran Synonym
- 2-(2-Propynyloxy)tetrahydro-2H-pyran Synonym
- (±)-Tetrahydro-2-(2-propynyloxy)-2H-pyran Synonym
- Tetrahydropyranyl propargyl ether Synonym
- Propargyl (tetrahydro-2H-pyran-2-yl) ether Synonym
- NSC 152714 Synonym
- 2-Propynyl tetrahydro-2H-pyran-2-yl ether Synonym
- 2-Propynyl tetrahydropyran ether Synonym
- 3-[(Tetrahydro-2H-pyran-2-yl)oxy]-1-propyne Synonym
- 1-(Tetrahydro-2H-pyranyloxy)-2-propyne Synonym
- 2-(2-Propyn-1-yloxy)tetrahydro-2H-pyran Synonym
- Oct-2-yne-1-ol Synonym
- 2-(Prop-2-yn-1-yloxy)oxane Synonym
- 2-Prop-2-ynoxyoxane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 140.18 g/mol | CAS Common Chemistry |
| 140.182 g/mol | RDKit | |
| Density | 1.00 g/cm³ | CAS Common Chemistry |
| 0.9965 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Canonical SMILES | C#CCOC1OCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H12O2/c1-2-6-9-8-5-3-4-7-10-8/h1,8H,3-7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=HQAXHIGPGBPPFU-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Propargyl tetrahydropyranyl ether | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 18.46 Ų | RDKit |
| LogP | 1.1628 | RDKit |
| Molar Refractivity | 38.376000000000005 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 140.083729624 g/mol | RDKit |
| Boiling Point | 78 °C @ 25 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
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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.
External Resources
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MW = 140.18 g/mol; density = 1.000 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H12O2.
