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Molecule
Bis(3-Ethyl-3-Oxetanylmethyl) Ether
CAS: 18934-00-4 · C12H22O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 18934-00-4
- Molecular Formula
- C12H22O3
- Molecular Mass
- 214.30 g/mol
Identifiers
CAS Registry Number
18934-00-4
SMILES
CCC1(COCC2(CC)COC2)COC1
InChI Key
FNYWFRSQRHGKJT-UHFFFAOYSA-N
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
Names and Synonyms
- Bis(3-Ethyl-3-Oxetanylmethyl) Ether Common Name
- Bis(3-ethyl-3-oxetanylmethyl) ether Synonym
- Oxetane, 3,3′-[oxybis(methylene)]bis[3-ethyl- Synonym
- Oxetane, 3,3′-(oxydimethylene)bis[3-ethyl- Synonym
- 3,3′-[Oxybis(methylene)]bis[3-ethyloxetane] Synonym
- Di[1-ethyl-(3-oxetanyl)methyl] ether Synonym
- 3-Ethyl-3-[[(3-ethyloxetan-3-yl)methoxy]methyl]oxetane Synonym
- TCM 201 Synonym
- 3-Ethyl-3[[(3-ethyloxetane-3-yl)methoxy]methyl]oxetane Synonym
- Curalite OxPlus Synonym
- GR-OXT 03 Synonym
- OXT 3 Synonym
- GR-OXT 3 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 214.30 g/mol | CAS Common Chemistry |
| 214.30499999999992 g/mol | RDKit | |
| 214.305 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 |
| 1.8562 | RDKit | |
| Molar Refractivity | 57.90500000000005 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 214.156894564 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 214.30 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H22O3.
