Molecular Weight of 1,6-dimethyl (2S)-2-methyl-2-[5-(methylsulfanyl)-3-oxopentyl]-3-oxohexanedioate (C15H24O6S)
Identification of 1,6-dimethyl (2S)-2-methyl-2-[5-(methylsulfanyl)-3-oxopentyl]-3-oxohexanedioate Chemical Compound
Chemical Formula | C15H24O6S |
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Molecular Weight | 332.41246 g/mol |
IUPAC Name | 1,6-dimethyl (2S)-2-methyl-2-[5-(methylsulfanyl)-3-oxopentyl]-3-oxohexanedioate |
SMILES String | COC(=O)CCC(=O)C(C)(CCC(=O)CCSC)C(=O)OC |
InChI | InChI=1S/C15H24O6S/c1-15(14(19)21-3,9-7-11(16)8-10-22-4)12(17)5-6-13(18)20-2/h5-10H2,1-4H3/t15-/m0/s1 |
InChIKey | KPNPJBWKRUQAOV-HNNXBMFYSA-N |
Molecular Weight Description
The 1,6-dimethyl (2S)-2-methyl-2-[5-(methylsulfanyl)-3-oxopentyl]-3-oxohexanedioate molecule consists of 24 Hydrogen atom(s), 15 Carbon atom(s), 6 Oxygen atom(s), and 1 Sulfur atom(s) - a total of 46 atom(s). The molecular weight of 1,6-dimethyl (2S)-2-methyl-2-[5-(methylsulfanyl)-3-oxopentyl]-3-oxohexanedioate is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 332.41246 · \frac{g}{mol} $$
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 1,6-dimethyl (2S)-2-methyl-2-[5-(methylsulfanyl)-3-oxopentyl]-3-oxohexanedioate Molecule
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Structure Data File (SDF/MOL File) of 1,6-dimethyl (2S)-2-methyl-2-[5-(methylsulfanyl)-3-oxopentyl]-3-oxohexanedioate
The structure data file (SDF/MOL File) of 1,6-dimethyl (2S)-2-methyl-2-[5-(methylsulfanyl)-3-oxopentyl]-3-oxohexanedioate is available for download in the SDF page of 1,6-dimethyl (2S)-2-methyl-2-[5-(methylsulfanyl)-3-oxopentyl]-3-oxohexanedioate, which provides the information on atoms, bonds, connectivity and coordinates of 1,6-dimethyl (2S)-2-methyl-2-[5-(methylsulfanyl)-3-oxopentyl]-3-oxohexanedioate. The 1,6-dimethyl (2S)-2-methyl-2-[5-(methylsulfanyl)-3-oxopentyl]-3-oxohexanedioate 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 1,6-dimethyl (2S)-2-methyl-2-[5-(methylsulfanyl)-3-oxopentyl]-3-oxohexanedioate
The molecular structure image of 1,6-dimethyl (2S)-2-methyl-2-[5-(methylsulfanyl)-3-oxopentyl]-3-oxohexanedioate is available in chemical structure page of 1,6-dimethyl (2S)-2-methyl-2-[5-(methylsulfanyl)-3-oxopentyl]-3-oxohexanedioate, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in 1,6-dimethyl (2S)-2-methyl-2-[5-(methylsulfanyl)-3-oxopentyl]-3-oxohexanedioate and the chemical bonds that hold the atoms together.
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Chemical formula of 1,6-dimethyl (2S)-2-methyl-2-[5-(methylsulfanyl)-3-oxopentyl]-3-oxohexanedioate
The molecular formula of 1,6-dimethyl (2S)-2-methyl-2-[5-(methylsulfanyl)-3-oxopentyl]-3-oxohexanedioate is given in chemical formula page of 1,6-dimethyl (2S)-2-methyl-2-[5-(methylsulfanyl)-3-oxopentyl]-3-oxohexanedioate, 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 1,6-dimethyl (2S)-2-methyl-2-[5-(methylsulfanyl)-3-oxopentyl]-3-oxohexanedioate
In addition to the molecular weight information, the structural information of 1,6-dimethyl (2S)-2-methyl-2-[5-(methylsulfanyl)-3-oxopentyl]-3-oxohexanedioate in a textual expression is available via InChi. The full standard InChI of 1,6-dimethyl (2S)-2-methyl-2-[5-(methylsulfanyl)-3-oxopentyl]-3-oxohexanedioate is given below:
InChI=1S/C15H24O6S/c1-15(14(19)21-3,9-7-11(16)8-10-22-4)12(17)5-6-13(18)20-2/h5-10H2,1-4H3/t15-/m0/s1
It can provide a way to encode the molecular information of 1,6-dimethyl (2S)-2-methyl-2-[5-(methylsulfanyl)-3-oxopentyl]-3-oxohexanedioate 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 1,6-dimethyl (2S)-2-methyl-2-[5-(methylsulfanyl)-3-oxopentyl]-3-oxohexanedioate is:
InChIKey=KPNPJBWKRUQAOV-HNNXBMFYSA-N
It may allow easier web searches for 1,6-dimethyl (2S)-2-methyl-2-[5-(methylsulfanyl)-3-oxopentyl]-3-oxohexanedioate. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the 1,6-dimethyl (2S)-2-methyl-2-[5-(methylsulfanyl)-3-oxopentyl]-3-oxohexanedioate as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of 1,6-dimethyl (2S)-2-methyl-2-[5-(methylsulfanyl)-3-oxopentyl]-3-oxohexanedioate
There may be different names of the 1,6-dimethyl (2S)-2-methyl-2-[5-(methylsulfanyl)-3-oxopentyl]-3-oxohexanedioate compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
None available.
1,6-dimethyl (2S)-2-methyl-2-[5-(methylsulfanyl)-3-oxopentyl]-3-oxohexanedioate Identification Summary Frequently Asked Questions (FAQs)
What’s the formula of 1,6-dimethyl (2S)-2-methyl-2-[5-(methylsulfanyl)-3-oxopentyl]-3-oxohexanedioate? |
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C15H24O6S |
How many atoms and what are the elements in the 1,6-dimethyl (2S)-2-methyl-2-[5-(methylsulfanyl)-3-oxopentyl]-3-oxohexanedioate molecule? |
46 atom(s) - 24 Hydrogen atom(s), 15 Carbon atom(s), 6 Oxygen atom(s), and 1 Sulfur atom(s) |
How many chemical bonds and what types of bonds are in the 1,6-dimethyl (2S)-2-methyl-2-[5-(methylsulfanyl)-3-oxopentyl]-3-oxohexanedioate structure? |
45 bond(s) - 21 non-H bond(s), 4 multiple bond(s), 13 rotatable bond(s), 4 double bond(s), 2 ester(s) (aliphatic), 2 ketone(s) (aliphatic), and 1 sulfide(s) |
What’s the molar mass of 1,6-dimethyl (2S)-2-methyl-2-[5-(methylsulfanyl)-3-oxopentyl]-3-oxohexanedioate? |
332.41246 g/mol |
What’s the SMILES format of 1,6-dimethyl (2S)-2-methyl-2-[5-(methylsulfanyl)-3-oxopentyl]-3-oxohexanedioate? |
COC(=O)CCC(=O)C(C)(CCC(=O)CCSC)C(=O)OC |
What’s the InChI format of 1,6-dimethyl (2S)-2-methyl-2-[5-(methylsulfanyl)-3-oxopentyl]-3-oxohexanedioate? |
InChI=1S/C15H24O6S/c1-15(14(19)21-3,9-7-11(16)8-10-22-4)12(17)5-6-13(18)20-2/h5-10H2,1-4H3/t15-/m0/s1 |
What’s the InChIKey string of 1,6-dimethyl (2S)-2-methyl-2-[5-(methylsulfanyl)-3-oxopentyl]-3-oxohexanedioate? |
KPNPJBWKRUQAOV-HNNXBMFYSA-N |
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