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Tetrahydrofurfuryl Polyethylene Glycol
CAS: 31692-85-0 | C7H14O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
31692-85-0
Molecular Formula:
C7H14O3
Molecular Weight:
146.18599999999998 g/mol
Names and Synonyms:
Tetrahydrofurfuryl Polyethylene Glycol
Glycofural
Ethylene oxide homopolymer 2-tetrahydrofuranylmethyl ether
Glycofurolum 75
Poly(ethylene glycol) tetrahydrofurfuryl ether
Tetrahydrofurfuryl alcohol polyethylene glycol ether
Glycofurol 75
Tetrahydrofurfuryl alcohol polyethylene glycol
Glycofurol
Tetrahydrofurfuryl poly(oxyethylene) ether
Tetrahydrofurfuryl polyethylene glycol ether
Glycols, polyethylene, mono(tetrahydrofurfuryl) ether
Poly(oxy-1,2-ethanediyl), α-[(tetrahydro-2-furanyl)methyl]-ω-hydroxy-
Tetrahydrofurfuryl polyethylene glycol
Identifiers:
SMILES:
OCCOCC1CCCO1
InChI:
InChI=1S/C7H14O3/c8-3-5-9-6-7-2-1-4-10-7/h7-8H,1-6H2
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 | 146.19 g/mol | Legacy Database |
| cas-canonical-smile | OCCOCC1OCCC1 None | Legacy Database |
| cas-inchi | InChI=1S/C7H14O3/c8-3-5-9-6-7-2-1-4-10-7/h7-8H,1-6H2 None | Legacy Database |
| cas-inchi-key | InChIKey=CTPDSKVQLSDPLC-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Tetrahydrofurfuryl polyethylene glycol None | Legacy Database |
| LogP | 0.17430000000000012 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 146.18599999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 146.094294308 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 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 | 38.69 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 36.8788 | RDKit |
