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Molecule
2-(2-Propyn-1-Yloxy)Ethanol
CAS: 3973-18-0 · C5H8O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3973-18-0
- Molecular Formula
- C5H8O2
- Molecular Mass
- 100.12 g/mol
Identifiers
CAS Registry Number
3973-18-0
SMILES
C#CCOCCO
InChI Key
GHGCQQRMJCSIBQ-UHFFFAOYSA-N
InChI
InChI=1S/C5H8O2/c1-2-4-7-5-3-6/h1,6H,3-5H2
Names and Synonyms
- 2-(2-Propyn-1-Yloxy)Ethanol Synonym
- Ethanol, 2-(2-propyn-1-yloxy)- Synonym
- Ethanol, 2-(2-propynyloxy)- Synonym
- 2-(2-Propyn-1-yloxy)ethanol Synonym
- Ethylene glycol monopropargyl ether Synonym
- 4-Oxa-1-hexyn-6-ol Synonym
- 2-(2-Propynyloxy)ethanol Synonym
- 2-Propynoxyethanol Synonym
- 2-(Propargyloxy)ethanol Synonym
- 3-(2-Hydroxyethoxy)-1-propyne Synonym
- 2-(Prop-2-yn-1-yloxy)ethan-1-ol Synonym
- 2-Prop-2-ynoxyethanol Synonym
- Ethanol, 2-(ethynyloxy)- Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 100.12 g/mol | CAS Common Chemistry |
| 100.11699999999999 g/mol | RDKit | |
| 100.117 g/mol | RDKit | |
| Density | 1.03 g/cm³ | CAS Common Chemistry |
| 1.0251 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | C#CCOCCO | CAS Common Chemistry |
| InChI | InChI=1S/C5H8O2/c1-2-4-7-5-3-6/h1,6H,3-5H2 | CAS Common Chemistry |
| InChI Key | InChIKey=GHGCQQRMJCSIBQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-(2-Propyn-1-yloxy)ethanol | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 29.46 Ų | RDKit |
| LogP | -0.3715 | RDKit |
| Molar Refractivity | 26.73779999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 100.052429496 g/mol | RDKit |
| Boiling Point | 80-90 °C @ 12-14 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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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.
External Resources
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MW = 100.12 g/mol; density = 1.030 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H8O2.
