Molecular Weight of DIETHYL METHYLMALONATE (C8H14O4)
Identification of DIETHYL METHYLMALONATE Chemical Compound
| Chemical Formula | C8H14O4 |
|---|---|
| Molecular Weight | 174.19436 g/mol |
| IUPAC Name | 1,3-diethyl 2-methylpropanedioate |
| SMILES String | CCOC(=O)C(C)C(=O)OCC |
| InChI | InChI=1S/C8H14O4/c1-4-11-7(9)6(3)8(10)12-5-2/h6H,4-5H2,1-3H3 |
| InChIKey | UPQZOUHVTJNGFK-UHFFFAOYSA-N |
Molecular Weight Description
The DIETHYL METHYLMALONATE molecule consists of 14 Hydrogen atom(s), 8 Carbon atom(s), and 4 Oxygen atom(s) - a total of 26 atom(s). The molecular weight of DIETHYL METHYLMALONATE is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 174.19436 · \frac{g}{mol} $$
The exact term of the above molecular weight is “molar mass”, which is based on the atomic mass of each element. Molecular weight is actually an older term of “relative molar mass” or “molecular mass”, which is a dimensionless quantity equal to the molar mass divided by the molar mass constant defined by 1 g/mol.
Molecular masses are calculated from the standard atomic weights of each nuclide, while molar masses are calculated from the atomic mass of each element. The atomic mass takes into account the isotopic distribution of the element in a given sample.
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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 DIETHYL METHYLMALONATE Molecule
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Structure Data File (SDF/MOL File) of DIETHYL METHYLMALONATE
The structure data file (SDF/MOL File) of DIETHYL METHYLMALONATE is available for download in the SDF page of DIETHYL METHYLMALONATE, which provides the information on atoms, bonds, connectivity and coordinates of DIETHYL METHYLMALONATE. The DIETHYL METHYLMALONATE structure data file can be imported to most of the chemistry-related software, providing three-dimensional visualization and further analysis.
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Chemical structure of DIETHYL METHYLMALONATE
The molecular structure image of DIETHYL METHYLMALONATE is available in chemical structure page of DIETHYL METHYLMALONATE, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in DIETHYL METHYLMALONATE and the chemical bonds that hold the atoms together.
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Chemical formula of DIETHYL METHYLMALONATE
The molecular formula of DIETHYL METHYLMALONATE is given in chemical formula page of DIETHYL METHYLMALONATE, 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 DIETHYL METHYLMALONATE
In addition to the molecular weight information, the structural information of DIETHYL METHYLMALONATE in a textual expression is available via InChi. The full standard InChI of DIETHYL METHYLMALONATE is given below:
InChI=1S/C8H14O4/c1-4-11-7(9)6(3)8(10)12-5-2/h6H,4-5H2,1-3H3
It can provide a way to encode the molecular information of DIETHYL METHYLMALONATE 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 DIETHYL METHYLMALONATE is:
InChIKey=UPQZOUHVTJNGFK-UHFFFAOYSA-N
It may allow easier web searches for DIETHYL METHYLMALONATE. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the DIETHYL METHYLMALONATE as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of DIETHYL METHYLMALONATE
There may be different names of the DIETHYL METHYLMALONATE compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
- 581796-71-6
- Z1258578268
- F0001-1595
- PROPYL, 3-ETHOXY-2-(ETHOXYCARBONYL)-3-OXO-
- I14-1443
- Diethyl methylmalonate, puriss., >=99.0% (GC)
- C-05839
- Propanedioicacid, 2-methyl-, 1,3-diethyl ester
- Propanedioic acid, 2-methyl-, diethyl ester
- Malonic acid, methyl-, diethyl ester (8CI)
- M0366
- H383
- 141885-94-1
- 2-methyl-propanedioic acid diethyl ester
- RTR-037263
- Methylpropanedioic acid, diethyl ester
- Methyl-propanedioic acid diethyl ester
- MFCD00009162
- ANW-33612
- Methylpropanedioic acid diethyl ester
- diethyl 2-methylpropane-1,3-dioate
- DIETHYL METHYLMALONATE, TECH
- 2-methyl-malonic acid diethyl ester
- 2-Methylmalonic acid diethyl ester
- Methylmalonic acid, diethyl ester
- Methyl-malonic acid diethyl ester
- methylmalonic acid diethylester
- Diethyl methylmalonate, 99%
- 2-Methylmalonic acid diethyl
- diethyl alpha-methylmalonate
- diethyl 2-methyl-malonate
- diethyl monomethylmalonate
- diethyl methyl-malonate
- Ethyl methylmalonate (VAN)
- M-4140
- Propanedioic acid, 2-methyl-, 1,3-diethyl ester
- DIETHYLMETHYLMALONATE
- Malonic acid, methyl-, diethyl ester
- diethyl methylpropanedioate
- Ethyl methylmalonate
- diethyl 2-methylpropanedioate
- Propanedioic acid, methyl-, diethyl ester
- Diethyl 2-methylmalonate
- Methylmalonic acid diethyl ester
- 609-08-5
- DIETHYL METHYLMALONATE
DIETHYL METHYLMALONATE Identification Summary Frequently Asked Questions (FAQs)
| What’s the formula of DIETHYL METHYLMALONATE? |
|---|
| C8H14O4 |
| How many atoms and what are the elements in the DIETHYL METHYLMALONATE molecule? |
| 26 atom(s) - 14 Hydrogen atom(s), 8 Carbon atom(s), and 4 Oxygen atom(s) |
| How many chemical bonds and what types of bonds are in the DIETHYL METHYLMALONATE structure? |
| 25 bond(s) - 11 non-H bond(s), 2 multiple bond(s), 6 rotatable bond(s), 2 double bond(s), and 2 ester(s) (aliphatic) |
| What’s the molar mass of DIETHYL METHYLMALONATE? |
| 174.19436 g/mol |
| What’s the SMILES format of DIETHYL METHYLMALONATE? |
| CCOC(=O)C(C)C(=O)OCC |
| What’s the InChI format of DIETHYL METHYLMALONATE? |
| InChI=1S/C8H14O4/c1-4-11-7(9)6(3)8(10)12-5-2/h6H,4-5H2,1-3H3 |
| What’s the InChIKey string of DIETHYL METHYLMALONATE? |
| UPQZOUHVTJNGFK-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).