Structure of 3-ethyl-5-methyl-5-propyloctane (C14H30)
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Chemical Formula | C14H30 |
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Molecular Weight | 198.388 g/mol |
IUPAC Name | 3-ethyl-5-methyl-5-propyloctane |
SMILES String | CCCC(C)(CCC)CC(CC)CC |
InChI | InChI=1S/C14H30/c1-6-10-14(5,11-7-2)12-13(8-3)9-4/h13H,6-12H2,1-5H3 |
InChIKey | IBNDHSJLTRROCO-UHFFFAOYSA-N |
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Chemical Structure Description
A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The 3-ethyl-5-methyl-5-propyloctane molecule contains a total of 43 bond(s). There are 13 non-H bond(s) and 8 rotatable bond(s). Images of the chemical structure of 3-ethyl-5-methyl-5-propyloctane are given below:
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
The 2D chemical structure image of 3-ethyl-5-methyl-5-propyloctane is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 3-ethyl-5-methyl-5-propyloctane 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 3-ethyl-5-methyl-5-propyloctane 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 3-ethyl-5-methyl-5-propyloctane. 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 3-ethyl-5-methyl-5-propyloctane is provided here.
The 3-ethyl-5-methyl-5-propyloctane 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 3-ethyl-5-methyl-5-propyloctane 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 3-ethyl-5-methyl-5-propyloctane 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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- CAS #: 64-17-5
- Formula: C2H5OH
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Additional Information for Identifying 3-ethyl-5-methyl-5-propyloctane Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of 3-ethyl-5-methyl-5-propyloctane
The SMILES string of 3-ethyl-5-methyl-5-propyloctane is CCCC(C)(CCC)CC(CC)CC, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 3-ethyl-5-methyl-5-propyloctane.
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Structure Data File (SDF/MOL File) of 3-ethyl-5-methyl-5-propyloctane
The structure data file (SDF/MOL File) of 3-ethyl-5-methyl-5-propyloctane is available for download in the SDF page of 3-ethyl-5-methyl-5-propyloctane, which provides the information about the atoms, bonds, connectivity and coordinates of 3-ethyl-5-methyl-5-propyloctane. The 3-ethyl-5-methyl-5-propyloctane structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of 3-ethyl-5-methyl-5-propyloctane
The molecular formula of 3-ethyl-5-methyl-5-propyloctane is available in chemical formula page of 3-ethyl-5-methyl-5-propyloctane, 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 3-ethyl-5-methyl-5-propyloctane
The molecular weight of 3-ethyl-5-methyl-5-propyloctane is available in molecular weight page of 3-ethyl-5-methyl-5-propyloctane, 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 3-ethyl-5-methyl-5-propyloctane
The 3-ethyl-5-methyl-5-propyloctane compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 3-ethyl-5-methyl-5-propyloctane including the various registry numbers, if available:
None available.
3-ethyl-5-methyl-5-propyloctane Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of 3-ethyl-5-methyl-5-propyloctane? |
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C14H30 |
How many atoms and what are the elements included the 3-ethyl-5-methyl-5-propyloctane molecule? |
44 atom(s) - 30 Hydrogen atom(s) and 14 Carbon atom(s) |
How many chemical bonds and what kind of bonds are included the 3-ethyl-5-methyl-5-propyloctane structure? |
43 bond(s) - 13 non-H bond(s) and 8 rotatable bond(s) |
What’s the 3-ethyl-5-methyl-5-propyloctane’s molecular weight? |
198.388 g/mol |
What’s the SMILES code of 3-ethyl-5-methyl-5-propyloctane? |
CCCC(C)(CCC)CC(CC)CC |
What’s the InChI string of 3-ethyl-5-methyl-5-propyloctane? |
InChI=1S/C14H30/c1-6-10-14(5,11-7-2)12-13(8-3)9-4/h13H,6-12H2,1-5H3 |
What’s the InChIKey code of 3-ethyl-5-methyl-5-propyloctane? |
IBNDHSJLTRROCO-UHFFFAOYSA-N |