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1,1,3,3-Tetramethoxypropane
CAS: 102-52-3 | C7H16O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
102-52-3
Molecular Formula:
C7H16O4
Molecular Mass:
164.20 g/mol
Names and Synonyms:
1,1,3,3-Tetramethoxypropane
Propane, 1,1,3,3-tetramethoxy-
Malonaldehyde, bis(dimethyl acetal)
1,1,3,3-Tetramethoxypropane
Tetramethoxypropane
Malonaldehyde tetramethyl acetal
Malondialdehyde tetramethyl acetal
NSC 27794
1,1,3,3-Tetrakis(methyloxy)propane
Identifiers:
SMILES:
COC(CC(OC)OC)OC
InChI:
InChI=1S/C7H16O4/c1-8-6(9-2)5-7(10-3)11-4/h6-7H,5H2,1-4H3
Key Properties
Boiling Point
183 °C
CAS Common Chemistry
Density
0.99 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 | 164.20 g/mol | CAS Common Chemistry |
| 164.201 g/mol | RDKit | |
| 164.104858992 g/mol | RDKit | |
| Density | 0.99 g/cm³ | CAS Common Chemistry |
| 0.9895 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/1,1,3,3-Tetramethoxypropane | CAS Common Chemistry |
| Boiling Point | 183 °C | CAS Common Chemistry |
| Canonical SMILES | O(C)C(OC)CC(OC)OC | CAS Common Chemistry |
| InChI | InChI=1S/C7H16O4/c1-8-6(9-2)5-7(10-3)11-4/h6-7H,5H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XHTYQFMRBQUCPX-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Tetramethoxypropane | CAS Common Chemistry |
| 1,1,3,3-Tetramethoxypropane | CAS Common Chemistry | |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 36.92 Ų | RDKit |
| LogP | 0.6142999999999998 | RDKit |
| Molar Refractivity | 40.229000000000006 | RDKit |
