Molecular Weight of Diethyl hexadecylmalonate (C23H44O4)
Identification of Diethyl hexadecylmalonate Chemical Compound
| Chemical Formula | C23H44O4 |
|---|---|
| Molecular Weight | 384.59306 g/mol |
| IUPAC Name | 1,3-diethyl 2-hexadecylpropanedioate |
| SMILES String | CCCCCCCCCCCCCCCCC(C(=O)OCC)C(=O)OCC |
| InChI | InChI=1S/C23H44O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22(24)26-5-2)23(25)27-6-3/h21H,4-20H2,1-3H3 |
| InChIKey | LPEPQDSUFATBAM-UHFFFAOYSA-N |
Molecular Weight Description
The Diethyl hexadecylmalonate molecule consists of 44 Hydrogen atom(s), 23 Carbon atom(s), and 4 Oxygen atom(s) - a total of 71 atom(s). The molecular weight of Diethyl hexadecylmalonate is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 384.59306 · \frac{g}{mol} $$
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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- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Diethyl hexadecylmalonate Molecule
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Structure Data File (SDF/MOL File) of Diethyl hexadecylmalonate
The structure data file (SDF/MOL File) of Diethyl hexadecylmalonate is available for download in the SDF page of Diethyl hexadecylmalonate, which provides the information on atoms, bonds, connectivity and coordinates of Diethyl hexadecylmalonate. The Diethyl hexadecylmalonate 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 hexadecylmalonate
The molecular structure image of Diethyl hexadecylmalonate is available in chemical structure page of Diethyl hexadecylmalonate, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in Diethyl hexadecylmalonate and the chemical bonds that hold the atoms together.
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Chemical formula of Diethyl hexadecylmalonate
The molecular formula of Diethyl hexadecylmalonate is given in chemical formula page of Diethyl hexadecylmalonate, 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 hexadecylmalonate
In addition to the molecular weight information, the structural information of Diethyl hexadecylmalonate in a textual expression is available via InChi. The full standard InChI of Diethyl hexadecylmalonate is given below:
InChI=1S/C23H44O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22(24)26-5-2)23(25)27-6-3/h21H,4-20H2,1-3H3
It can provide a way to encode the molecular information of Diethyl hexadecylmalonate 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 hexadecylmalonate is:
InChIKey=LPEPQDSUFATBAM-UHFFFAOYSA-N
It may allow easier web searches for Diethyl hexadecylmalonate. 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 hexadecylmalonate as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Diethyl hexadecylmalonate
There may be different names of the Diethyl hexadecylmalonate compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
- AR-1I4702
- C-21413
- Hexadecyl-malonic acid, diethyl ester
- 2-Hexadecylmalonic acid diethyl ester
- MFCD00015162
- Hexadecylmalonic acid diethyl ester
- DIETHYLN-HEXADECYLMALONATE
- F45CUU13IA
- Diethyl cetylmalonate
- diethyl 2-hexadecylpropanedioate
- Diethyl 2-hexadecylmalonate
- Diethyl n-hexadecylmalonate
- 41433-81-2
- Diethyl hexadecylmalonate
Diethyl hexadecylmalonate Identification Summary Frequently Asked Questions (FAQs)
| What’s the formula of Diethyl hexadecylmalonate? |
|---|
| C23H44O4 |
| How many atoms and what are the elements in the Diethyl hexadecylmalonate molecule? |
| 71 atom(s) - 44 Hydrogen atom(s), 23 Carbon atom(s), and 4 Oxygen atom(s) |
| How many chemical bonds and what types of bonds are in the Diethyl hexadecylmalonate structure? |
| 70 bond(s) - 26 non-H bond(s), 2 multiple bond(s), 21 rotatable bond(s), 2 double bond(s), and 2 ester(s) (aliphatic) |
| What’s the molar mass of Diethyl hexadecylmalonate? |
| 384.59306 g/mol |
| What’s the SMILES format of Diethyl hexadecylmalonate? |
| CCCCCCCCCCCCCCCCC(C(=O)OCC)C(=O)OCC |
| What’s the InChI format of Diethyl hexadecylmalonate? |
| InChI=1S/C23H44O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22(24)26-5-2)23(25)27-6-3/h21H,4-20H2,1-3H3 |
| What’s the InChIKey string of Diethyl hexadecylmalonate? |
| LPEPQDSUFATBAM-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).