Molecular Weight of Tetradecanoic acid tert-butyl ester (C18H36O2)
Identification of Tetradecanoic acid tert-butyl ester Chemical Compound
| Chemical Formula | C18H36O2 |
|---|---|
| Molecular Weight | 284.47724 g/mol |
| IUPAC Name | tert-butyl tetradecanoate |
| SMILES String | CCCCCCCCCCCCCC(=O)OC(C)(C)C |
| InChI | InChI=1S/C18H36O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17(19)20-18(2,3)4/h5-16H2,1-4H3 |
| InChIKey | FWLUJMOCPIHVJP-UHFFFAOYSA-N |
Molecular Weight Description
The Tetradecanoic acid tert-butyl ester molecule consists of 36 Hydrogen atom(s), 18 Carbon atom(s), and 2 Oxygen atom(s) - a total of 56 atom(s). The molecular weight of Tetradecanoic acid tert-butyl ester is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 284.47724 · \frac{g}{mol} $$
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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Additional Information for Identifying Tetradecanoic acid tert-butyl ester Molecule
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Structure Data File (SDF/MOL File) of Tetradecanoic acid tert-butyl ester
The structure data file (SDF/MOL File) of Tetradecanoic acid tert-butyl ester is available for download in the SDF page of Tetradecanoic acid tert-butyl ester, which provides the information on atoms, bonds, connectivity and coordinates of Tetradecanoic acid tert-butyl ester. The Tetradecanoic acid tert-butyl ester 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 Tetradecanoic acid tert-butyl ester
The molecular structure image of Tetradecanoic acid tert-butyl ester is available in chemical structure page of Tetradecanoic acid tert-butyl ester, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in Tetradecanoic acid tert-butyl ester and the chemical bonds that hold the atoms together.
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Chemical formula of Tetradecanoic acid tert-butyl ester
The molecular formula of Tetradecanoic acid tert-butyl ester is given in chemical formula page of Tetradecanoic acid tert-butyl ester, 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 Tetradecanoic acid tert-butyl ester
In addition to the molecular weight information, the structural information of Tetradecanoic acid tert-butyl ester in a textual expression is available via InChi. The full standard InChI of Tetradecanoic acid tert-butyl ester is given below:
InChI=1S/C18H36O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17(19)20-18(2,3)4/h5-16H2,1-4H3
It can provide a way to encode the molecular information of Tetradecanoic acid tert-butyl ester 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 Tetradecanoic acid tert-butyl ester is:
InChIKey=FWLUJMOCPIHVJP-UHFFFAOYSA-N
It may allow easier web searches for Tetradecanoic acid tert-butyl ester. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the Tetradecanoic acid tert-butyl ester as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Tetradecanoic acid tert-butyl ester
There may be different names of the Tetradecanoic acid tert-butyl ester compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
- 32429-42-8
- Tetradecanoic acid tert-butyl ester
Tetradecanoic acid tert-butyl ester Identification Summary Frequently Asked Questions (FAQs)
| What’s the formula of Tetradecanoic acid tert-butyl ester? |
|---|
| C18H36O2 |
| How many atoms and what are the elements in the Tetradecanoic acid tert-butyl ester molecule? |
| 56 atom(s) - 36 Hydrogen atom(s), 18 Carbon atom(s), and 2 Oxygen atom(s) |
| How many chemical bonds and what types of bonds are in the Tetradecanoic acid tert-butyl ester structure? |
| 55 bond(s) - 19 non-H bond(s), 1 multiple bond(s), 14 rotatable bond(s), 1 double bond(s), and 1 ester(s) (aliphatic) |
| What’s the molar mass of Tetradecanoic acid tert-butyl ester? |
| 284.47724 g/mol |
| What’s the SMILES format of Tetradecanoic acid tert-butyl ester? |
| CCCCCCCCCCCCCC(=O)OC(C)(C)C |
| What’s the InChI format of Tetradecanoic acid tert-butyl ester? |
| InChI=1S/C18H36O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17(19)20-18(2,3)4/h5-16H2,1-4H3 |
| What’s the InChIKey string of Tetradecanoic acid tert-butyl ester? |
| FWLUJMOCPIHVJP-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).