Formula of Diethoxymethane (C5H12O2)
Identification of Diethoxymethane Chemical Compound
Chemical Formula | C5H12O2 |
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Molecular Weight | 104.14758 g/mol |
IUPAC Name | (ethoxymethoxy)ethane |
SMILES String | CCOCOCC |
InChI | InChI=1S/C5H12O2/c1-3-6-5-7-4-2/h3-5H2,1-2H3 |
InChIKey | KLKFAASOGCDTDT-UHFFFAOYSA-N |
Chemical Formula Description
The Diethoxymethane molecule contains a total of 19 atom(s). There are 12 Hydrogen atom(s), 5 Carbon atom(s), and 2 Oxygen atom(s). A chemical formula of Diethoxymethane can therefore be written as:
C5H12O2
The chemical formula of Diethoxymethane shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.
The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.
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- CAS #: 64-17-5
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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 Diethoxymethane Molecule
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Structure Data File (SDF/MOL File) of Diethoxymethane
The structure data file (SDF/MOL File) of Diethoxymethane is available for download in the SDF page of Diethoxymethane providing the information about the atoms, bonds, connectivity and coordinates of Diethoxymethane, which is not completely available in the chemical formula representation. The Diethoxymethane structure data file can be imported to most of the cheminformatics software for further analysis and visualization.
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Chemical structure of Diethoxymethane
The chemical structure image of Diethoxymethane is available in chemical structure page of Diethoxymethane, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of Diethoxymethane and the chemical bonds that hold the atoms together.
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Molecular weight of Diethoxymethane
The molecular weight of Diethoxymethane is available in molecular weight page of Diethoxymethane, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element specified in the chemical formula of Diethoxymethane.
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InChI (IUPAC International Chemical Identifier) information of Diethoxymethane
The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of Diethoxymethane is:
InChI=1S/C5H12O2/c1-3-6-5-7-4-2/h3-5H2,1-2H3
It can provide a standard way to encode the molecular information of Diethoxymethane 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 Diethoxymethane is:
InChIKey=KLKFAASOGCDTDT-UHFFFAOYSA-N
The InChIKey may allow easier web searches for Diethoxymethane, but it needs to be linked to the full InChI to get back to the original structure of the Diethoxymethane since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Diethoxymethane
The Diethoxymethane compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of Diethoxymethane including the registry numbers is given below, if available:
- C-28331
- BBV-34551526
- AR-1A7671
- KST-1A5033
- Formaldehyde diethyl acetal, absolute, over molecular sieve (H2O <=0.01%), >=99.0% (GC)
- Diethoxymethane, 99.7%, contains 50-150 ppm BHT as stabilizer
- Z1258578245
- Q-200970
- I14-6030
- Diethoxymethane [UN2373] [Flammable liquid]
- Diethoxymethane [UN2373] [Flammable liquid]
- AZ0001-0061
- D0457
- CAS-462-95-3
- UN 2373
- RTR-032201
- Ethane,1,1'-[methylenebis(oxy)]bis-
- MFCD00009246
- ANW-42293
- Ethane,1'-[methylenebis(oxy)]bis-
- 56IT408V5Y
- Methylene Glycol Diethyl Ether
- Formaldehyde, diethyl acetal
- 1-(Ethoxymethoxy)ethane #
- 1-(Ethoxymethoxy)ethane
- 3,5-Dioxaheptane
- Ethane, 1,1'-(methylenebis(oxy))bis-
- ethoxymethoxyethane
- Ethane, 1,1'-[methylenebis(oxy)]bis-
- 3,5-Dioxaheptene
- 1,1-DIETHOXYMETHANE
- Ethoxymethyl ethyl ether
- Methane, diethoxy-
- Diethoxy methane
- Diethylformal
- Formaldehyde diethyl acetal
- Ethylal
- 462-95-3
- Diethoxymethane
Diethoxymethane Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of Diethoxymethane? |
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C5H12O2 |
How many atoms and what are they in the Diethoxymethane structure? |
19 atom(s) - 12 Hydrogen atom(s), 5 Carbon atom(s), and 2 Oxygen atom(s) |
How many chemical bonds and what are they in the Diethoxymethane structure? |
18 bond(s) - 6 non-H bond(s), 4 rotatable bond(s), and 2 ether(s) (aliphatic) |
What’s the molecular weight of Diethoxymethane? |
104.14758 g/mol |
What’s the SMILES string of Diethoxymethane? |
CCOCOCC |
What’s the InChI of Diethoxymethane? |
InChI=1S/C5H12O2/c1-3-6-5-7-4-2/h3-5H2,1-2H3 |
What’s the InChIKey of Diethoxymethane? |
KLKFAASOGCDTDT-UHFFFAOYSA-N |
1030
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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).