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Triethyl Orthoformate
CAS: 122-51-0 | C7H16O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
122-51-0
Molecular Formula:
C7H16O3
Molecular Weight:
148.202 g/mol
Names and Synonyms:
Triethyl Orthoformate
Ethane, 1,1′,1′′-[methylidynetris(oxy)]tris-
Orthoformic acid, triethyl ester
1,1′,1′′-[Methylidynetris(oxy)]tris[ethane]
Aethon
Ethyl orthoformate
Triethoxymethane
Triethyl orthoformate
Orthoformic acid ethyl ester
Ethone
OF
OFE (ether)
OFE
NSC 5289
(Diethoxymethoxy)ethane
Triethylorthformate
Identifiers:
SMILES:
CCOC(OCC)OCC
InChI:
InChI=1S/C7H16O3/c1-4-8-7(9-5-2)10-6-3/h7H,4-6H2,1-3H3
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 148.202 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 148.109944372 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 6 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 27.69 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.3795 | RDKit |
| molecular_mass | 148.20 g/mol | Legacy Database |
| density | 0.89 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Triethyl_orthoformate None | Legacy Database |
| cas-boiling-point | 143 °C None | Legacy Database |
| cas-canonical-smile | O(CC)C(OCC)OCC None | Legacy Database |
| cas-density | 0.8858 g/cm3 @ Temp: 25 °C None | Legacy Database |
| cas-inchi | InChI=1S/C7H16O3/c1-4-8-7(9-5-2)10-6-3/h7H,4-6H2,1-3H3 None | Legacy Database |
| cas-inchi-key | InChIKey=GKASDNZWUGIAMG-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Triethyl orthoformate None | Legacy Database |
| wikipedia-name | Triethyl orthoformate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 38.666000000000004 | RDKit |
