Structure & Deep Data of Cyclononacosane (C29H58)
Identification of Cyclononacosane Chemical Compound
| Chemical Formula | C29H58 |
|---|---|
| Molecular Weight | 406.77082 g/mol |
| IUPAC Name | cyclononacosane |
| SMILES String | C1CCCCCCCCCCCCCCCCCCCCCCCCCCCC1 |
| InChI | InChI=1S/C29H58/c1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1/h1-29H2 |
| InChIKey | ZVCGXXJOMWAPKC-UHFFFAOYSA-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 cyclononacosane molecule contains a total of 87 bond(s). There are 29 non-H bond(s). Images of the chemical structure of cyclononacosane are given below:
The 2D chemical structure image of cyclononacosane is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of cyclononacosane 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 cyclononacosane 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 cyclononacosane. 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 cyclononacosane is provided here.
The cyclononacosane 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 cyclononacosane 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 cyclononacosane 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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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Cyclononacosane Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of cyclononacosane
The SMILES string of cyclononacosane is C1CCCCCCCCCCCCCCCCCCCCCCCCCCCC1, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the cyclononacosane.
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Structure Data File (SDF/MOL File) of cyclononacosane
The structure data file (SDF/MOL File) of cyclononacosane is available for download in the SDF page of cyclononacosane, which provides the information about the atoms, bonds, connectivity and coordinates of cyclononacosane. The cyclononacosane structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of cyclononacosane
The molecular formula of cyclononacosane is available in chemical formula page of cyclononacosane, 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 cyclononacosane
The molecular weight of cyclononacosane is available in molecular weight page of cyclononacosane, 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 cyclononacosane
The cyclononacosane compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of cyclononacosane including the various registry numbers, if available:
None available.
Cyclononacosane Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of cyclononacosane? |
|---|
| C29H58 |
| How many atoms and what are the elements included the cyclononacosane molecule? |
| 87 atom(s) - 58 Hydrogen atom(s) and 29 Carbon atom(s) |
| How many chemical bonds and what kind of bonds are included the cyclononacosane structure? |
| 87 bond(s) - 29 non-H bond(s) |
| What’s the cyclononacosane’s molecular weight? |
| 406.77082 g/mol |
| What’s the SMILES code of cyclononacosane? |
| C1CCCCCCCCCCCCCCCCCCCCCCCCCCCC1 |
| What’s the InChI string of cyclononacosane? |
| InChI=1S/C29H58/c1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1/h1-29H2 |
| What’s the InChIKey code of cyclononacosane? |
| ZVCGXXJOMWAPKC-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).