Molecule
Diethyl Ether
CAS: 60-29-7 · C4H10O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 60-29-7
- Molecular Formula
- C4H10O
- Molecular Mass
- 74.12 g/mol
Identifiers
CAS Registry Number
60-29-7
SMILES
CCOCC
InChI Key
RTZKZFJDLAIYFH-UHFFFAOYSA-N
InChI
InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3
Names and Synonyms
- Diethyl Ether Synonym
- Ethane, 1,1′-oxybis- Synonym
- Ether Synonym
- Ethyl ether Synonym
- 1,1′-Oxybis[ethane] Synonym
- Anaesthetic ether Synonym
- Anesthesia ether Synonym
- Anesthetic ether Synonym
- Diethyl ether Synonym
- Diethyl oxide Synonym
- Ethoxyethane Synonym
- Pronarcol Synonym
- 3-Oxapentane Synonym
- Sulfuric ether Synonym
- Ethyl oxide Synonym
- NSC 100036 Synonym
- R 610 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 74.12 g/mol | CAS Common Chemistry |
| 74.123 g/mol | RDKit | |
| Density | 0.71 g/cm³ | CAS Common Chemistry |
| 0.7134 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Diethyl_ether | CAS Common Chemistry |
| Canonical SMILES | O(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RTZKZFJDLAIYFH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -116 °C | CAS Common Chemistry |
| Name | Diethyl ether | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 1.0428000000000002 | RDKit |
| 1.0428 | RDKit | |
| Molar Refractivity | 22.166999999999994 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 74.07316494 g/mol | RDKit |
| Boiling Point | 2.2 °C @ 200 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
| 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
Convert
Quick conversion
MW = 74.12 g/mol; density = 0.710 g/mL. Edit any field — others recompute live.
Synthesis
Reactions involving this molecule
Curated and imported reactions where this compound appears as a reactant, catalyst, solvent, or product. Calc-ready entries open the Reaction Scale Calculator pre-anchored on this molecule at 10 mmol; the rest go to the procedure overview.
Related
Related molecules
Other compounds with formula C4H10O.
