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Poly(Oxy-1,2-Ethanediyl), Α-(2-Methyl-2-Propen-1-Yl)-Ω-Hydroxy-
CAS: 31497-33-3 | C6H12O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
31497-33-3
Molecular Formula:
C6H12O2
Molecular Weight:
116.15999999999998 g/mol
Names and Synonyms:
Poly(Oxy-1,2-Ethanediyl), Α-(2-Methyl-2-Propen-1-Yl)-Ω-Hydroxy-
HPEG 4800
HPEG 400
F 1088
Polyethylene glycol 2-methyl-2-propenyl ether
Isobutenol polyoxyethylene ether
Aoke 703
WR 6251
HPEG 5000
DD 524
Ethoxylated methallyl alcohol
Ethoxylated 2-methyl-2-propen-1-ol
MLA 150
MLA 25
MLA 75
Polyethylene oxide isobutenyl ether
Polyethylene glycol isobutenyl ether
TJ 188C
HPEG 2400
HPEG 1200
Ethoxylated 2-methyl-2-propene-1-ol
Polyethylene glycol monomethallyl ether
Polyethylene glycol methallyl ether
Methallyloxypolyethylene glycol
Poly(oxy-1,2-ethanediyl), α-(2-methyl-2-propenyl)-ω-hydroxy-
Glycols, polyethylene, mono(2-methylallyl) ether
Poly(oxy-1,2-ethanediyl), α-(2-methyl-2-propen-1-yl)-ω-hydroxy-
Poly(ethylene glycol) mono(2-methylallyl) ether
Identifiers:
SMILES:
C=C(C)COCCO
InChI:
InChI=1S/C6H12O2/c1-6(2)5-8-4-3-7/h7H,1,3-5H2,2H3
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.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 116.16 g/mol | Legacy Database |
| cas-canonical-smile | OCCOCC(=C)C None | Legacy Database |
| cas-inchi | InChI=1S/C6H12O2/c1-6(2)5-8-4-3-7/h7H,1,3-5H2,2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=HGZYNOXVRGBQKB-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Poly(oxy-1,2-ethanediyl), α-(2-methyl-2-propen-1-yl)-ω-hydroxy- None | Legacy Database |
| LogP | 0.5713999999999999 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 116.15999999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 116.083729624 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 32.71879999999999 | RDKit |
