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Molecule
[2-(1-Ethoxyethoxy)Ethyl]Benzene
CAS: 2556-10-7 · C12H18O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2556-10-7
- Molecular Formula
- C12H18O2
- Molecular Mass
- 194.27 g/mol
Identifiers
CAS Registry Number
2556-10-7
SMILES
CCOC(C)OCCc1ccccc1
InChI Key
QQDGMPOYFGNLMT-UHFFFAOYSA-N
InChI
InChI=1S/C12H18O2/c1-3-13-11(2)14-10-9-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3
Names and Synonyms
- [2-(1-Ethoxyethoxy)Ethyl]Benzene Synonym
- Benzene, [2-(1-ethoxyethoxy)ethyl]- Synonym
- Acetaldehyde, ethyl phenethyl acetal Synonym
- Ethane, 1-ethoxy-1-(phenethyloxy)- Synonym
- [2-(1-Ethoxyethoxy)ethyl]benzene Synonym
- Acetaldehyde ethyl 2-phenylethyl acetal Synonym
- 1-Ethoxy-1-(2′-phenylethoxy)ethane Synonym
- Efetaal Synonym
- 1-(2-((1-(Ethyloxy)ethyl)oxy)ethyl)benzene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 194.27 g/mol | CAS Common Chemistry |
| 194.27400000000003 g/mol | RDKit | |
| 194.274 g/mol | RDKit | |
| Canonical SMILES | O(CC)C(OCCC=1C=CC=CC1)C | CAS Common Chemistry |
| InChI | InChI=1S/C12H18O2/c1-3-13-11(2)14-10-9-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QQDGMPOYFGNLMT-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | [2-(1-Ethoxyethoxy)ethyl]benzene | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 18.46 Ų | RDKit |
| LogP | 2.6282000000000005 | RDKit |
| 2.6282 | RDKit | |
| Molar Refractivity | 57.18600000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 194.130679816 g/mol | RDKit |
| Boiling Point | 67-70 °C @ 7 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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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 = 194.27 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H18O2.
