Structure & Deep Data of 4-ethyl-2,3-dimethyloctane (C12H26)
Identification of 4-ethyl-2,3-dimethyloctane Chemical Compound
| Chemical Formula | C12H26 |
|---|---|
| Molecular Weight | 170.33484 g/mol |
| IUPAC Name | 4-ethyl-2,3-dimethyloctane |
| SMILES String | CCCCC(CC)C(C)C(C)C |
| InChI | InChI=1S/C12H26/c1-6-8-9-12(7-2)11(5)10(3)4/h10-12H,6-9H2,1-5H3 |
| InChIKey | DCBIYDZULXWXTQ-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 4-ethyl-2,3-dimethyloctane molecule contains a total of 37 bond(s). There are 11 non-H bond(s) and 6 rotatable bond(s). Images of the chemical structure of 4-ethyl-2,3-dimethyloctane are given below:
The 2D chemical structure image of 4-ethyl-2,3-dimethyloctane is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 4-ethyl-2,3-dimethyloctane 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 4-ethyl-2,3-dimethyloctane 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 4-ethyl-2,3-dimethyloctane. 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 4-ethyl-2,3-dimethyloctane is provided here.
The 4-ethyl-2,3-dimethyloctane 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 4-ethyl-2,3-dimethyloctane 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 4-ethyl-2,3-dimethyloctane 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 4-ethyl-2,3-dimethyloctane Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of 4-ethyl-2,3-dimethyloctane
The SMILES string of 4-ethyl-2,3-dimethyloctane is CCCCC(CC)C(C)C(C)C, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 4-ethyl-2,3-dimethyloctane.
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Structure Data File (SDF/MOL File) of 4-ethyl-2,3-dimethyloctane
The structure data file (SDF/MOL File) of 4-ethyl-2,3-dimethyloctane is available for download in the SDF page of 4-ethyl-2,3-dimethyloctane, which provides the information about the atoms, bonds, connectivity and coordinates of 4-ethyl-2,3-dimethyloctane. The 4-ethyl-2,3-dimethyloctane structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of 4-ethyl-2,3-dimethyloctane
The molecular formula of 4-ethyl-2,3-dimethyloctane is available in chemical formula page of 4-ethyl-2,3-dimethyloctane, 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 4-ethyl-2,3-dimethyloctane
The molecular weight of 4-ethyl-2,3-dimethyloctane is available in molecular weight page of 4-ethyl-2,3-dimethyloctane, 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 4-ethyl-2,3-dimethyloctane
The 4-ethyl-2,3-dimethyloctane compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 4-ethyl-2,3-dimethyloctane including the various registry numbers, if available:
- 2,3-DIMETHYL-4-ETHYLOCTANE
- 62184-00-3
4-ethyl-2,3-dimethyloctane Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of 4-ethyl-2,3-dimethyloctane? |
|---|
| C12H26 |
| How many atoms and what are the elements included the 4-ethyl-2,3-dimethyloctane molecule? |
| 38 atom(s) - 26 Hydrogen atom(s) and 12 Carbon atom(s) |
| How many chemical bonds and what kind of bonds are included the 4-ethyl-2,3-dimethyloctane structure? |
| 37 bond(s) - 11 non-H bond(s) and 6 rotatable bond(s) |
| What’s the 4-ethyl-2,3-dimethyloctane’s molecular weight? |
| 170.33484 g/mol |
| What’s the SMILES code of 4-ethyl-2,3-dimethyloctane? |
| CCCCC(CC)C(C)C(C)C |
| What’s the InChI string of 4-ethyl-2,3-dimethyloctane? |
| InChI=1S/C12H26/c1-6-8-9-12(7-2)11(5)10(3)4/h10-12H,6-9H2,1-5H3 |
| What’s the InChIKey code of 4-ethyl-2,3-dimethyloctane? |
| DCBIYDZULXWXTQ-UHFFFAOYSA-N |
2393
The contents of this page can freely be shared if cited as follows:
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).