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Diethyl Ether

CAS: 60-29-7 | C4H10O

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 60-29-7
Molecular Formula: C4H10O
Molecular Weight: 74.123 g/mol

Names and Synonyms:

Diethyl Ether
Ethane, 1,1′-oxybis-
Ether
Ethyl ether
1,1′-Oxybis[ethane]
Anaesthetic ether
Anesthesia ether
Anesthetic ether
Diethyl ether
Diethyl oxide
Ethoxyethane
Pronarcol
3-Oxapentane
Sulfuric ether
Ethyl oxide
NSC 100036
R 610

Identifiers:

SMILES:
CCOCC
InChI:
InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3

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.

External Resources

All Properties

Comprehensive physical and chemical properties

Category Property Value Source
Molecular Molecular Weight 74.123 g/mol RDKit
Exact Exact Molecular Weight 74.07316494 g/mol RDKit
Heavy Heavy Atom Count 5 count RDKit
Hydrogen Hydrogen Bond Acceptors 1 count RDKit
Hydrogen Bond Donors 0 count RDKit
Rotatable Rotatable Bonds 2 count RDKit
Aromatic Aromatic Ring Count 0 count RDKit
Topological Topological Polar Surface Area 9.23 Ų RDKit
Physical Properties LogP 1.0428000000000002 RDKit
molecular_mass 74.12 g/mol Legacy Database
density 0.71 g/cm³ Legacy Database
wikipedia_url https://en.wikipedia.org/wiki/Diethyl_ether Legacy Database
cas-boiling-point 2.2 °C @ Press: 200 Torr Legacy Database
cas-canonical-smile O(CC)CC Legacy Database
cas-density 0.7134 g/cm3 @ Temp: 20 °C Legacy Database
cas-inchi InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3 Legacy Database
cas-inchi-key InChIKey=RTZKZFJDLAIYFH-UHFFFAOYSA-N Legacy Database
cas-melting-point -116 °C Legacy Database
cas-name Diethyl ether Legacy Database
wikipedia-name Diethyl ether Legacy Database
Molar Molar Refractivity 22.166999999999994 RDKit

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