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Bis(3-Ethyl-3-Oxetanylmethyl) Ether
CAS: 18934-00-4 | C12H22O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
18934-00-4
Molecular Formula:
C12H22O3
Molecular Mass:
214.30 g/mol
Names and Synonyms:
Bis(3-Ethyl-3-Oxetanylmethyl) Ether
Bis(3-ethyl-3-oxetanylmethyl) ether
Oxetane, 3,3′-[oxybis(methylene)]bis[3-ethyl-
Oxetane, 3,3′-(oxydimethylene)bis[3-ethyl-
3,3′-[Oxybis(methylene)]bis[3-ethyloxetane]
Di[1-ethyl-(3-oxetanyl)methyl] ether
3-Ethyl-3-[[(3-ethyloxetan-3-yl)methoxy]methyl]oxetane
TCM 201
3-Ethyl-3[[(3-ethyloxetane-3-yl)methoxy]methyl]oxetane
Curalite OxPlus
GR-OXT 03
OXT 3
GR-OXT 3
Identifiers:
SMILES:
CCC1(COCC2(CC)COC2)COC1
InChI:
InChI=1S/C12H22O3/c1-3-11(5-13-6-11)9-15-10-12(4-2)7-14-8-12/h3-10H2,1-2H3
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 214.30 g/mol | CAS Common Chemistry |
| 214.30499999999992 g/mol | RDKit | |
| 214.156894564 g/mol | RDKit | |
| Canonical SMILES | O(CC1(COC1)CC)CC2(COC2)CC | CAS Common Chemistry |
| InChI | InChI=1S/C12H22O3/c1-3-11(5-13-6-11)9-15-10-12(4-2)7-14-8-12/h3-10H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FNYWFRSQRHGKJT-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Bis(3-ethyl-3-oxetanylmethyl) ether | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 1.8561999999999999 | RDKit |
| Molar Refractivity | 57.90500000000005 | RDKit |
