SDF/Mol File of Tetraethyl pyrophosphite (C8H20O5P2)
Identification of Tetraethyl pyrophosphite Chemical Compound
| Chemical Formula | C8H20O5P2 |
|---|---|
| Molecular Weight | 258.18892 g/mol |
| IUPAC Name | diethyl [(diethoxyphosphanyl)oxy]phosphonite |
| SMILES String | CCOP(OCC)OP(OCC)OCC |
| InChI | InChI=1S/C8H20O5P2/c1-5-9-14(10-6-2)13-15(11-7-3)12-8-4/h5-8H2,1-4H3 |
| InChIKey | RDXABLXNTVBVML-UHFFFAOYSA-N |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of Tetraethyl pyrophosphite is available for download. Click the link below to start downloading.
Download structure data file (SDF/MOL File)
The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of Tetraethyl pyrophosphite molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.
The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.
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- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Tetraethyl pyrophosphite Molecule
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Chemical structure of Tetraethyl pyrophosphite
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of Tetraethyl pyrophosphite is available in chemical structure page of Tetraethyl pyrophosphite, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.
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Molecular weight of Tetraethyl pyrophosphite
The molecular weight of Tetraethyl pyrophosphite is available in molecular weight page of Tetraethyl pyrophosphite, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.
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Chemical formula of Tetraethyl pyrophosphite
The chemical formula of Tetraethyl pyrophosphite is given in chemical formula page of Tetraethyl pyrophosphite, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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InChI (IUPAC International Chemical Identifier) information of Tetraethyl pyrophosphite
An alternative way of expressing structural information in text format is InChI. The full standard InChI of Tetraethyl pyrophosphite is:
InChI=1S/C8H20O5P2/c1-5-9-14(10-6-2)13-15(11-7-3)12-8-4/h5-8H2,1-4H3
It can provide a standard way to encode the molecular information of Tetraethyl pyrophosphite to facilitate the search for the compound information in databases and on the web.
The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of Tetraethyl pyrophosphite is:
InChIKey=RDXABLXNTVBVML-UHFFFAOYSA-N
The InChIKey may allow easier web searches for Tetraethyl pyrophosphite, but it needs to be linked to the full InChI to get back to the original structure of the Tetraethyl pyrophosphite since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Tetraethyl pyrophosphite
The Tetraethyl pyrophosphite compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of Tetraethyl pyrophosphite including the registry numbers are listed below, if available:
- AR-1L6339
- Tetraethyl diphosphite
- I14-53470
- J-014207
- C-28259
- DIETHYL (DIETHOXYPHOSPHANYL)OXYPHOSPHONITE
- Diphosphorous acid, tetraethyl ester
- diethoxyphosphanyl diethyl phosphite
- Tetraethyl pyrophosphite, 96%
- Oxybis(diethoxyphosphine)
- Tetraethyl diphosphite #
- 21646-99-1
- TETRAethylpyROPHOSPHITE
- Tetraethyl pyrophosphite
Tetraethyl pyrophosphite Identification Summary Frequently Asked Questions (FAQs)
| What’s the Tetraethyl pyrophosphite formula? |
|---|
| C8H20O5P2 |
| How many atoms and what elements are included in the Tetraethyl pyrophosphite molecule? |
| 35 atom(s) - 20 Hydrogen atom(s), 8 Carbon atom(s), 5 Oxygen atom(s), and 2 Phosphorous atom(s) |
| How many chemical bonds and what kind of bonds are in the Tetraethyl pyrophosphite structure? |
| 34 bond(s) - 14 non-H bond(s), 10 rotatable bond(s), and 2 phosphite(s)/thiophosphite(s) |
| What’s the Tetraethyl pyrophosphite’s molar mass? |
| 258.18892 g/mol |
| What’s the SMILES structure of Tetraethyl pyrophosphite? |
| CCOP(OCC)OP(OCC)OCC |
| What’s the InChI code of Tetraethyl pyrophosphite? |
| InChI=1S/C8H20O5P2/c1-5-9-14(10-6-2)13-15(11-7-3)12-8-4/h5-8H2,1-4H3 |
| What’s the InChIKey format of Tetraethyl pyrophosphite? |
| RDXABLXNTVBVML-UHFFFAOYSA-N |
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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN
technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).