Molecular Weight of Methyl 10-bromo-3-oxodecanoate (C11H19BrO3)
Identification of Methyl 10-bromo-3-oxodecanoate Chemical Compound
| Chemical Formula | C11H19BrO3 |
|---|---|
| Molecular Weight | 279.17076 g/mol |
| IUPAC Name | methyl 10-bromo-3-oxodecanoate |
| SMILES String | COC(=O)CC(=O)CCCCCCCBr |
| InChI | InChI=1S/C11H19BrO3/c1-15-11(14)9-10(13)7-5-3-2-4-6-8-12/h2-9H2,1H3 |
| InChIKey | RIBZTMMBGKVZNI-UHFFFAOYSA-N |
Molecular Weight Description
The methyl 10-bromo-3-oxodecanoate molecule consists of 19 Hydrogen atom(s), 11 Carbon atom(s), 3 Oxygen atom(s), and 1 Bromine atom(s) - a total of 34 atom(s). The molecular weight of methyl 10-bromo-3-oxodecanoate is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 279.17076 · \frac{g}{mol} $$
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 Methyl 10-bromo-3-oxodecanoate Molecule
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Structure Data File (SDF/MOL File) of methyl 10-bromo-3-oxodecanoate
The structure data file (SDF/MOL File) of methyl 10-bromo-3-oxodecanoate is available for download in the SDF page of methyl 10-bromo-3-oxodecanoate, which provides the information on atoms, bonds, connectivity and coordinates of methyl 10-bromo-3-oxodecanoate. The methyl 10-bromo-3-oxodecanoate 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 methyl 10-bromo-3-oxodecanoate
The molecular structure image of methyl 10-bromo-3-oxodecanoate is available in chemical structure page of methyl 10-bromo-3-oxodecanoate, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in methyl 10-bromo-3-oxodecanoate and the chemical bonds that hold the atoms together.
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Chemical formula of methyl 10-bromo-3-oxodecanoate
The molecular formula of methyl 10-bromo-3-oxodecanoate is given in chemical formula page of methyl 10-bromo-3-oxodecanoate, 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 methyl 10-bromo-3-oxodecanoate
In addition to the molecular weight information, the structural information of methyl 10-bromo-3-oxodecanoate in a textual expression is available via InChi. The full standard InChI of methyl 10-bromo-3-oxodecanoate is given below:
InChI=1S/C11H19BrO3/c1-15-11(14)9-10(13)7-5-3-2-4-6-8-12/h2-9H2,1H3
It can provide a way to encode the molecular information of methyl 10-bromo-3-oxodecanoate 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 methyl 10-bromo-3-oxodecanoate is:
InChIKey=RIBZTMMBGKVZNI-UHFFFAOYSA-N
It may allow easier web searches for methyl 10-bromo-3-oxodecanoate. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the methyl 10-bromo-3-oxodecanoate as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of methyl 10-bromo-3-oxodecanoate
There may be different names of the methyl 10-bromo-3-oxodecanoate compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
None available.
Methyl 10-bromo-3-oxodecanoate Identification Summary Frequently Asked Questions (FAQs)
| What’s the formula of methyl 10-bromo-3-oxodecanoate? |
|---|
| C11H19BrO3 |
| How many atoms and what are the elements in the methyl 10-bromo-3-oxodecanoate molecule? |
| 34 atom(s) - 19 Hydrogen atom(s), 11 Carbon atom(s), 3 Oxygen atom(s), and 1 Bromine atom(s) |
| How many chemical bonds and what types of bonds are in the methyl 10-bromo-3-oxodecanoate structure? |
| 33 bond(s) - 14 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 methyl 10-bromo-3-oxodecanoate? |
| 279.17076 g/mol |
| What’s the SMILES format of methyl 10-bromo-3-oxodecanoate? |
| COC(=O)CC(=O)CCCCCCCBr |
| What’s the InChI format of methyl 10-bromo-3-oxodecanoate? |
| InChI=1S/C11H19BrO3/c1-15-11(14)9-10(13)7-5-3-2-4-6-8-12/h2-9H2,1H3 |
| What’s the InChIKey string of methyl 10-bromo-3-oxodecanoate? |
| RIBZTMMBGKVZNI-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).