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Ethylene Glycol Monoallyl Ether
CAS: 111-45-5 | C5H10O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
111-45-5
Molecular Formula:
C5H10O2
Molecular Weight:
102.133 g/mol
Names and Synonyms:
Ethylene Glycol Monoallyl Ether
2-Prop-2-enoxyethanol
2-(Prop-2-en-1-yloxy)ethan-1-ol
Hansa ADD 4035
Allyl alcohol monoethoxylate
Allyl monoethoxylate
NSC 32614
2-Hydroxyethyl allyl ether
Lioxasol
Hydroxyethyl allyl ether
2-(2-Propenyloxy)ethanol
Ethylene glycol monoallyl ether
6-Hydroxy-4-oxa-1-hexene
Allyl 2-hydroxyethyl ether
Ethylene glycol allyl ether
2-(Allyloxy)ethanol
Allyl Cellosolve
2-(2-Propen-1-yloxy)ethanol
Ethanol, 2-(2-propenyloxy)-
Ethanol, 2-(allyloxy)-
Ethanol, 2-(2-propen-1-yloxy)-
Identifiers:
SMILES:
C=CCOCCO
InChI:
InChI=1S/C5H10O2/c1-2-4-7-5-3-6/h2,6H,1,3-5H2
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.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 102.133 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 102.06807956 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 4 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 29.46 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.18129999999999996 | RDKit |
| molecular_mass | 102.13 g/mol | Legacy Database |
| density | 0.96 g/cm³ | Legacy Database |
| cas-boiling-point | 158.5 °C None | Legacy Database |
| cas-canonical-smile | OCCOCC=C None | Legacy Database |
| cas-density | 0.958 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C5H10O2/c1-2-4-7-5-3-6/h2,6H,1,3-5H2 None | Legacy Database |
| cas-inchi-key | InChIKey=GCYHRYNSUGLLMA-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Ethylene glycol monoallyl ether None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 28.101799999999987 | RDKit |
