Molecular Weight of Ethyl 4-oxononanoate (C11H20O3)
Identification of Ethyl 4-oxononanoate Chemical Compound
| Chemical Formula | C11H20O3 |
|---|---|
| Molecular Weight | 200.2747 g/mol |
| IUPAC Name | ethyl 4-oxononanoate |
| SMILES String | CCCCCC(=O)CCC(=O)OCC |
| InChI | InChI=1S/C11H20O3/c1-3-5-6-7-10(12)8-9-11(13)14-4-2/h3-9H2,1-2H3 |
| InChIKey | RHHOUINGCOVIBN-UHFFFAOYSA-N |
Molecular Weight Description
The ethyl 4-oxononanoate molecule consists of 20 Hydrogen atom(s), 11 Carbon atom(s), and 3 Oxygen atom(s) - a total of 34 atom(s). The molecular weight of ethyl 4-oxononanoate is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 200.2747 · \frac{g}{mol} $$
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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- Name: ethanol
- CAS #: 64-17-5
- Formula: C2H5OH
- Smiles: CCO
- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Ethyl 4-oxononanoate Molecule
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Structure Data File (SDF/MOL File) of ethyl 4-oxononanoate
The structure data file (SDF/MOL File) of ethyl 4-oxononanoate is available for download in the SDF page of ethyl 4-oxononanoate, which provides the information on atoms, bonds, connectivity and coordinates of ethyl 4-oxononanoate. The ethyl 4-oxononanoate 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 ethyl 4-oxononanoate
The molecular structure image of ethyl 4-oxononanoate is available in chemical structure page of ethyl 4-oxononanoate, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in ethyl 4-oxononanoate and the chemical bonds that hold the atoms together.
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Chemical formula of ethyl 4-oxononanoate
The molecular formula of ethyl 4-oxononanoate is given in chemical formula page of ethyl 4-oxononanoate, 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 ethyl 4-oxononanoate
In addition to the molecular weight information, the structural information of ethyl 4-oxononanoate in a textual expression is available via InChi. The full standard InChI of ethyl 4-oxononanoate is given below:
InChI=1S/C11H20O3/c1-3-5-6-7-10(12)8-9-11(13)14-4-2/h3-9H2,1-2H3
It can provide a way to encode the molecular information of ethyl 4-oxononanoate 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 ethyl 4-oxononanoate is:
InChIKey=RHHOUINGCOVIBN-UHFFFAOYSA-N
It may allow easier web searches for ethyl 4-oxononanoate. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the ethyl 4-oxononanoate as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of ethyl 4-oxononanoate
There may be different names of the ethyl 4-oxononanoate compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
- Z2740000664
- MFCD00520680
- 7589b
- 4-Oxononanoic acid ethyl ester
- 4-oxo-nonanoic acid ethyl ester
- 37174-92-8
Ethyl 4-oxononanoate Identification Summary Frequently Asked Questions (FAQs)
| What’s the formula of ethyl 4-oxononanoate? |
|---|
| C11H20O3 |
| How many atoms and what are the elements in the ethyl 4-oxononanoate molecule? |
| 34 atom(s) - 20 Hydrogen atom(s), 11 Carbon atom(s), and 3 Oxygen atom(s) |
| How many chemical bonds and what types of bonds are in the ethyl 4-oxononanoate structure? |
| 33 bond(s) - 13 non-H bond(s), 2 multiple bond(s), 9 rotatable bond(s), 2 double bond(s), 1 ester(s) (aliphatic), and 1 ketone(s) (aliphatic) |
| What’s the molar mass of ethyl 4-oxononanoate? |
| 200.2747 g/mol |
| What’s the SMILES format of ethyl 4-oxononanoate? |
| CCCCCC(=O)CCC(=O)OCC |
| What’s the InChI format of ethyl 4-oxononanoate? |
| InChI=1S/C11H20O3/c1-3-5-6-7-10(12)8-9-11(13)14-4-2/h3-9H2,1-2H3 |
| What’s the InChIKey string of ethyl 4-oxononanoate? |
| RHHOUINGCOVIBN-UHFFFAOYSA-N |
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The contents of this page can freely be shared if cited as follows:
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).