Molecular Weight of (2R,6S)-2,6-dimethylheptanedioic Acid (C9H16O4)
Identification of (2R,6S)-2,6-dimethylheptanedioic Acid Chemical Compound
| Chemical Formula | C9H16O4 |
|---|---|
| Molecular Weight | 188.22094 g/mol |
| IUPAC Name | (2R,6S)-2,6-dimethylheptanedioic acid |
| SMILES String | CC(CCCC(C)C(O)=O)C(O)=O |
| InChI | InChI=1S/C9H16O4/c1-6(8(10)11)4-3-5-7(2)9(12)13/h6-7H,3-5H2,1-2H3,(H,10,11)(H,12,13)/t6-,7+ |
| InChIKey | MPOVRXTVHXDFII-KNVOCYPGSA-N |
Molecular Weight Description
The (2R,6S)-2,6-dimethylheptanedioic Acid molecule consists of 16 Hydrogen atom(s), 9 Carbon atom(s), and 4 Oxygen atom(s) - a total of 29 atom(s). The molecular weight of (2R,6S)-2,6-dimethylheptanedioic Acid is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 188.22094 · \frac{g}{mol} $$
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 (2R,6S)-2,6-dimethylheptanedioic Acid Molecule
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Structure Data File (SDF/MOL File) of (2R,6S)-2,6-dimethylheptanedioic Acid
The structure data file (SDF/MOL File) of (2R,6S)-2,6-dimethylheptanedioic Acid is available for download in the SDF page of (2R,6S)-2,6-dimethylheptanedioic Acid, which provides the information on atoms, bonds, connectivity and coordinates of (2R,6S)-2,6-dimethylheptanedioic Acid. The (2R,6S)-2,6-dimethylheptanedioic Acid 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 (2R,6S)-2,6-dimethylheptanedioic Acid
The molecular structure image of (2R,6S)-2,6-dimethylheptanedioic Acid is available in chemical structure page of (2R,6S)-2,6-dimethylheptanedioic Acid, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in (2R,6S)-2,6-dimethylheptanedioic Acid and the chemical bonds that hold the atoms together.
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Chemical formula of (2R,6S)-2,6-dimethylheptanedioic Acid
The molecular formula of (2R,6S)-2,6-dimethylheptanedioic Acid is given in chemical formula page of (2R,6S)-2,6-dimethylheptanedioic Acid, 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 (2R,6S)-2,6-dimethylheptanedioic Acid
In addition to the molecular weight information, the structural information of (2R,6S)-2,6-dimethylheptanedioic Acid in a textual expression is available via InChi. The full standard InChI of (2R,6S)-2,6-dimethylheptanedioic Acid is given below:
InChI=1S/C9H16O4/c1-6(8(10)11)4-3-5-7(2)9(12)13/h6-7H,3-5H2,1-2H3,(H,10,11)(H,12,13)/t6-,7+
It can provide a way to encode the molecular information of (2R,6S)-2,6-dimethylheptanedioic Acid 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 (2R,6S)-2,6-dimethylheptanedioic Acid is:
InChIKey=MPOVRXTVHXDFII-KNVOCYPGSA-N
It may allow easier web searches for (2R,6S)-2,6-dimethylheptanedioic Acid. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the (2R,6S)-2,6-dimethylheptanedioic Acid as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of (2R,6S)-2,6-dimethylheptanedioic Acid
There may be different names of the (2R,6S)-2,6-dimethylheptanedioic Acid compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
None available.
(2R,6S)-2,6-dimethylheptanedioic Acid Identification Summary Frequently Asked Questions (FAQs)
| What’s the formula of (2R,6S)-2,6-dimethylheptanedioic Acid? |
|---|
| C9H16O4 |
| How many atoms and what are the elements in the (2R,6S)-2,6-dimethylheptanedioic Acid molecule? |
| 29 atom(s) - 16 Hydrogen atom(s), 9 Carbon atom(s), and 4 Oxygen atom(s) |
| How many chemical bonds and what types of bonds are in the (2R,6S)-2,6-dimethylheptanedioic Acid structure? |
| 28 bond(s) - 12 non-H bond(s), 2 multiple bond(s), 6 rotatable bond(s), 2 double bond(s), 2 carboxylic acid(s) (aliphatic), and 2 hydroxyl group(s) |
| What’s the molar mass of (2R,6S)-2,6-dimethylheptanedioic Acid? |
| 188.22094 g/mol |
| What’s the SMILES format of (2R,6S)-2,6-dimethylheptanedioic Acid? |
| CC(CCCC(C)C(O)=O)C(O)=O |
| What’s the InChI format of (2R,6S)-2,6-dimethylheptanedioic Acid? |
| InChI=1S/C9H16O4/c1-6(8(10)11)4-3-5-7(2)9(12)13/h6-7H,3-5H2,1-2H3,(H,10,11)(H,12,13)/t6-,7+ |
| What’s the InChIKey string of (2R,6S)-2,6-dimethylheptanedioic Acid? |
| MPOVRXTVHXDFII-KNVOCYPGSA-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).