Structure & Deep Data of 1,3-DIETHYLBENZENE (C10H14)
Identification of 1,3-DIETHYLBENZENE Chemical Compound
Chemical Formula | C10H14 |
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Molecular Weight | 134.21816 g/mol |
IUPAC Name | 1,3-diethylbenzene |
SMILES String | CCc1cccc(CC)c1 |
InChI | InChI=1S/C10H14/c1-3-9-6-5-7-10(4-2)8-9/h5-8H,3-4H2,1-2H3 |
InChIKey | AFZZYIJIWUTJFO-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 1,3-DIETHYLBENZENE molecule contains a total of 24 bond(s). There are 10 non-H bond(s), 6 multiple bond(s), 2 rotatable bond(s), 6 aromatic bond(s), and 1 six-membered ring(s). Images of the chemical structure of 1,3-DIETHYLBENZENE are given below:
The 2D chemical structure image of 1,3-DIETHYLBENZENE is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 1,3-DIETHYLBENZENE 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 1,3-DIETHYLBENZENE 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 1,3-DIETHYLBENZENE. 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 1,3-DIETHYLBENZENE is provided here.
The 1,3-DIETHYLBENZENE 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 1,3-DIETHYLBENZENE 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 1,3-DIETHYLBENZENE 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 1,3-DIETHYLBENZENE Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of 1,3-DIETHYLBENZENE
The SMILES string of 1,3-DIETHYLBENZENE is CCc1cccc(CC)c1, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 1,3-DIETHYLBENZENE.
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Structure Data File (SDF/MOL File) of 1,3-DIETHYLBENZENE
The structure data file (SDF/MOL File) of 1,3-DIETHYLBENZENE is available for download in the SDF page of 1,3-DIETHYLBENZENE, which provides the information about the atoms, bonds, connectivity and coordinates of 1,3-DIETHYLBENZENE. The 1,3-DIETHYLBENZENE structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of 1,3-DIETHYLBENZENE
The molecular formula of 1,3-DIETHYLBENZENE is available in chemical formula page of 1,3-DIETHYLBENZENE, 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 1,3-DIETHYLBENZENE
The molecular weight of 1,3-DIETHYLBENZENE is available in molecular weight page of 1,3-DIETHYLBENZENE, 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 1,3-DIETHYLBENZENE
The 1,3-DIETHYLBENZENE compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 1,3-DIETHYLBENZENE including the various registry numbers, if available:
- AR-1B6906
- KST-1B7800
- 68584-01-0
- I01-20230
- A807834
- 1,3-Diethylbenzene, puriss., >=99.0% (GC)
- D0478
- CAS-141-93-5
- MFCD00009260
- ANW-20659
- 1,3-Diethylbenzene, 97% 2ml
- ZM2X7I1G8Y
- Benzene, polyethylated
- 1,3-diethyl-benzene
- Benzene,3-diethyl-
- Polyethylated benzene
- meta-Diethylbenzene
- Benzene, ethylated
- Ethylated benzene
- m-Ethylethylbenzene
- Benzene, m-diethyl-
- Benzene, 1,3-diethyl-
- 141-93-5
- m-Diethylbenzene
1,3-DIETHYLBENZENE Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of 1,3-DIETHYLBENZENE? |
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C10H14 |
How many atoms and what are the elements included the 1,3-DIETHYLBENZENE molecule? |
24 atom(s) - 14 Hydrogen atom(s) and 10 Carbon atom(s) |
How many chemical bonds and what kind of bonds are included the 1,3-DIETHYLBENZENE structure? |
24 bond(s) - 10 non-H bond(s), 6 multiple bond(s), 2 rotatable bond(s), 6 aromatic bond(s), and 1 six-membered ring(s) |
What’s the 1,3-DIETHYLBENZENE’s molecular weight? |
134.21816 g/mol |
What’s the SMILES code of 1,3-DIETHYLBENZENE? |
CCc1cccc(CC)c1 |
What’s the InChI string of 1,3-DIETHYLBENZENE? |
InChI=1S/C10H14/c1-3-9-6-5-7-10(4-2)8-9/h5-8H,3-4H2,1-2H3 |
What’s the InChIKey code of 1,3-DIETHYLBENZENE? |
AFZZYIJIWUTJFO-UHFFFAOYSA-N |
3204
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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).