Structure & Deep Data of Methyl (10S)-18-fluoro-10-methyloctadecanoate (C20H39FO2)
Identification of Methyl (10S)-18-fluoro-10-methyloctadecanoate Chemical Compound
| Chemical Formula | C20H39FO2 |
|---|---|
| Molecular Weight | 330.52086 g/mol |
| IUPAC Name | methyl (10S)-18-fluoro-10-methyloctadecanoate |
| SMILES String | COC(=O)CCCCCCCCC(C)CCCCCCCCF |
| InChI | InChI=1S/C20H39FO2/c1-19(16-12-8-5-6-10-14-18-21)15-11-7-3-4-9-13-17-20(22)23-2/h19H,3-18H2,1-2H3/t19-/m0/s1 |
| InChIKey | JKBSPUNOLFVIBO-IBGZPJMESA-N |
Chemical Structure Description
A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The methyl (10S)-18-fluoro-10-methyloctadecanoate molecule contains a total of 61 bond(s). There are 22 non-H bond(s), 1 multiple bond(s), 17 rotatable bond(s), 1 double bond(s), and 1 ester(s) (aliphatic). Images of the chemical structure of methyl (10S)-18-fluoro-10-methyloctadecanoate are given below:
The 2D chemical structure image of methyl (10S)-18-fluoro-10-methyloctadecanoate is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of methyl (10S)-18-fluoro-10-methyloctadecanoate are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.
The 3D chemical structure image of methyl (10S)-18-fluoro-10-methyloctadecanoate is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of methyl (10S)-18-fluoro-10-methyloctadecanoate. Download structure data file (SDF/MOL) file of this compound.
chemical table area
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of methyl (10S)-18-fluoro-10-methyloctadecanoate is provided here.
The methyl (10S)-18-fluoro-10-methyloctadecanoate molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the methyl (10S)-18-fluoro-10-methyloctadecanoate molecule can be increased or decreased by scrolling the mouse wheel.
The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of methyl (10S)-18-fluoro-10-methyloctadecanoate can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.
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Additional Information for Identifying Methyl (10S)-18-fluoro-10-methyloctadecanoate Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of methyl (10S)-18-fluoro-10-methyloctadecanoate
The SMILES string of methyl (10S)-18-fluoro-10-methyloctadecanoate is COC(=O)CCCCCCCCC(C)CCCCCCCCF, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the methyl (10S)-18-fluoro-10-methyloctadecanoate.
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Structure Data File (SDF/MOL File) of methyl (10S)-18-fluoro-10-methyloctadecanoate
The structure data file (SDF/MOL File) of methyl (10S)-18-fluoro-10-methyloctadecanoate is available for download in the SDF page of methyl (10S)-18-fluoro-10-methyloctadecanoate, which provides the information about the atoms, bonds, connectivity and coordinates of methyl (10S)-18-fluoro-10-methyloctadecanoate. The methyl (10S)-18-fluoro-10-methyloctadecanoate structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of methyl (10S)-18-fluoro-10-methyloctadecanoate
The molecular formula of methyl (10S)-18-fluoro-10-methyloctadecanoate is available in chemical formula page of methyl (10S)-18-fluoro-10-methyloctadecanoate, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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Molecular weight of methyl (10S)-18-fluoro-10-methyloctadecanoate
The molecular weight of methyl (10S)-18-fluoro-10-methyloctadecanoate is available in molecular weight page of methyl (10S)-18-fluoro-10-methyloctadecanoate, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.
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Other names (synonyms) or registry numbers of methyl (10S)-18-fluoro-10-methyloctadecanoate
The methyl (10S)-18-fluoro-10-methyloctadecanoate compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of methyl (10S)-18-fluoro-10-methyloctadecanoate including the various registry numbers, if available:
None available.
Methyl (10S)-18-fluoro-10-methyloctadecanoate Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of methyl (10S)-18-fluoro-10-methyloctadecanoate? |
|---|
| C20H39FO2 |
| How many atoms and what are the elements included the methyl (10S)-18-fluoro-10-methyloctadecanoate molecule? |
| 62 atom(s) - 39 Hydrogen atom(s), 20 Carbon atom(s), 2 Oxygen atom(s), and 1 Fluorine atom(s) |
| How many chemical bonds and what kind of bonds are included the methyl (10S)-18-fluoro-10-methyloctadecanoate structure? |
| 61 bond(s) - 22 non-H bond(s), 1 multiple bond(s), 17 rotatable bond(s), 1 double bond(s), and 1 ester(s) (aliphatic) |
| What’s the methyl (10S)-18-fluoro-10-methyloctadecanoate’s molecular weight? |
| 330.52086 g/mol |
| What’s the SMILES code of methyl (10S)-18-fluoro-10-methyloctadecanoate? |
| COC(=O)CCCCCCCCC(C)CCCCCCCCF |
| What’s the InChI string of methyl (10S)-18-fluoro-10-methyloctadecanoate? |
| InChI=1S/C20H39FO2/c1-19(16-12-8-5-6-10-14-18-21)15-11-7-3-4-9-13-17-20(22)23-2/h19H,3-18H2,1-2H3/t19-/m0/s1 |
| What’s the InChIKey code of methyl (10S)-18-fluoro-10-methyloctadecanoate? |
| JKBSPUNOLFVIBO-IBGZPJMESA-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).