Structure of TETRATETRACONTANE (C44H90)
Identification of TETRATETRACONTANE Chemical Compound
| Chemical Formula | C44H90 |
|---|---|
| Molecular Weight | 619.1854 g/mol |
| IUPAC Name | tetratetracontane |
| SMILES String | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC |
| InChI | InChI=1S/C44H90/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-44H2,1-2H3 |
| InChIKey | KMXFZRSJMDYPPG-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 TETRATETRACONTANE molecule contains a total of 133 bond(s). There are 43 non-H bond(s) and 41 rotatable bond(s). Images of the chemical structure of TETRATETRACONTANE are given below:
The 2D chemical structure image of TETRATETRACONTANE is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of TETRATETRACONTANE 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 TETRATETRACONTANE 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 TETRATETRACONTANE. Download structure data file (SDF/MOL) file of this compound.
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of TETRATETRACONTANE is provided here.
The TETRATETRACONTANE 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 TETRATETRACONTANE 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 TETRATETRACONTANE 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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- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying TETRATETRACONTANE Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of TETRATETRACONTANE
The SMILES string of TETRATETRACONTANE is CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the TETRATETRACONTANE.
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Structure Data File (SDF/MOL File) of TETRATETRACONTANE
The structure data file (SDF/MOL File) of TETRATETRACONTANE is available for download in the SDF page of TETRATETRACONTANE, which provides the information about the atoms, bonds, connectivity and coordinates of TETRATETRACONTANE. The TETRATETRACONTANE structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of TETRATETRACONTANE
The molecular formula of TETRATETRACONTANE is available in chemical formula page of TETRATETRACONTANE, 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 TETRATETRACONTANE
The molecular weight of TETRATETRACONTANE is available in molecular weight page of TETRATETRACONTANE, 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 TETRATETRACONTANE
The TETRATETRACONTANE compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of TETRATETRACONTANE including the various registry numbers, if available:
- 1208B570-4CB6-48FD-9F3F-67129C995357
- I14-19547
- C-52526
- Tetratetracontane, purum, >=95.0% (GC)
- 7098-22-8
- n-Tetratetracontane
- MFCD00015268
- ANW-35980
- Tetratetracontane, 99%
- Tetratetracontane, analytical standard
TETRATETRACONTANE Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of TETRATETRACONTANE? |
|---|
| C44H90 |
| How many atoms and what are the elements included the TETRATETRACONTANE molecule? |
| 134 atom(s) - 90 Hydrogen atom(s) and 44 Carbon atom(s) |
| How many chemical bonds and what kind of bonds are included the TETRATETRACONTANE structure? |
| 133 bond(s) - 43 non-H bond(s) and 41 rotatable bond(s) |
| What’s the TETRATETRACONTANE’s molecular weight? |
| 619.1854 g/mol |
| What’s the SMILES code of TETRATETRACONTANE? |
| CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC |
| What’s the InChI string of TETRATETRACONTANE? |
| InChI=1S/C44H90/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-44H2,1-2H3 |
| What’s the InChIKey code of TETRATETRACONTANE? |
| KMXFZRSJMDYPPG-UHFFFAOYSA-N |
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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented SQN and QN
technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2022).