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1,1,3,3-Tetraethoxypropane
CAS: 122-31-6 | C11H24O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
122-31-6
Molecular Formula:
C11H24O4
Molecular Mass:
220.31 g/mol
Names and Synonyms:
1,1,3,3-Tetraethoxypropane
Propane, 1,1,3,3-tetraethoxy-
Malonaldehyde, bis(diethyl acetal)
1,1,3,3-Tetraethoxypropane
Malonaldehyde tetraethyl diacetal
Tetraethyl malondialdehyde acetal
Malonaldehyde tetraethyl acetal
Malondialdehyde tetraethyl acetal
TEP
1,1,3,3-Tetrakis(ethoxy)propane
1,1,3,3-Triethoxypropane
NSC 17068
Identifiers:
SMILES:
CCOC(CC(OCC)OCC)OCC
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
Key Properties
Boiling Point
77-78 °C @ Press: 3 Torr
CAS Common Chemistry
Density
0.92 g/cm³
CAS Common Chemistry
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 | 220.31 g/mol | CAS Common Chemistry |
| 220.30899999999994 g/mol | RDKit | |
| 220.167459248 g/mol | RDKit | |
| Density | 0.92 g/cm³ | CAS Common Chemistry |
| 0.916 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Boiling Point | 77-78 °C @ Press: 3 Torr | 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 |
| Molar Refractivity | 58.69700000000005 | RDKit |
