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Molecule
1,1,3,3-Tetraethoxypropane
CAS: 122-31-6 · C11H24O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 122-31-6
- Molecular Formula
- C11H24O4
- Molecular Mass
- 220.31 g/mol
Identifiers
CAS Registry Number
122-31-6
SMILES
CCOC(CC(OCC)OCC)OCC
InChI Key
KVJHGPAAOUGYJX-UHFFFAOYSA-N
InChI
InChI=1S/C11H24O4/c1-5-12-10(13-6-2)9-11(14-7-3)15-8-4/h10-11H,5-9H2,1-4H3
Names and Synonyms
- 1,1,3,3-Tetraethoxypropane Synonym
- Propane, 1,1,3,3-tetraethoxy- Synonym
- Malonaldehyde, bis(diethyl acetal) Synonym
- 1,1,3,3-Tetraethoxypropane Synonym
- Malonaldehyde tetraethyl diacetal Synonym
- Tetraethyl malondialdehyde acetal Synonym
- Malonaldehyde tetraethyl acetal Synonym
- Malondialdehyde tetraethyl acetal Synonym
- TEP Synonym
- 1,1,3,3-Tetrakis(ethoxy)propane Synonym
- 1,1,3,3-Triethoxypropane Synonym
- NSC 17068 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 220.31 g/mol | CAS Common Chemistry |
| 220.30899999999994 g/mol | RDKit | |
| 220.309 g/mol | RDKit | |
| Density | 0.92 g/cm³ | CAS Common Chemistry |
| 0.916 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Canonical SMILES | O(CC)C(OCC)CC(OCC)OCC | CAS Common Chemistry |
| InChI | InChI=1S/C11H24O4/c1-5-12-10(13-6-2)9-11(14-7-3)15-8-4/h10-11H,5-9H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=KVJHGPAAOUGYJX-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,1,3,3-Tetraethoxypropane | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 36.92 Ų | RDKit |
| LogP | 2.1746999999999996 | RDKit |
| 2.1747 | RDKit | |
| Molar Refractivity | 58.69700000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 220.167459248 g/mol | RDKit |
| Boiling Point | 77-78 °C @ 3 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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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.
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MW = 220.31 g/mol; density = 0.920 g/mL. Edit any field — others recompute live.
