Structure & Deep Data of 2-Butenyl ethyl ether (C6H12O)
Identification of 2-Butenyl ethyl ether Chemical Compound
Chemical Formula | C6H12O |
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Molecular Weight | 100.15888 g/mol |
IUPAC Name | (2E)-1-ethoxybut-2-ene |
SMILES String | CCOCC=CC |
InChI | InChI=1S/C6H12O/c1-3-5-6-7-4-2/h3,5H,4,6H2,1-2H3/b5-3+ |
InChIKey | NDYRMWZHBBMBGD-HWKANZROSA-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 2-Butenyl ethyl ether molecule contains a total of 18 bond(s). There are 6 non-H bond(s), 1 multiple bond(s), 3 rotatable bond(s), 1 double bond(s), and 1 ether(s) (aliphatic). Images of the chemical structure of 2-Butenyl ethyl ether are given below:
The 2D chemical structure image of 2-Butenyl ethyl ether is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 2-Butenyl ethyl ether 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 2-Butenyl ethyl ether 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 2-Butenyl ethyl ether. 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 2-Butenyl ethyl ether is provided here.
The 2-Butenyl ethyl ether 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 2-Butenyl ethyl ether 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 2-Butenyl ethyl ether 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 2-Butenyl ethyl ether Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of 2-Butenyl ethyl ether
The SMILES string of 2-Butenyl ethyl ether is CCOCC=CC, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 2-Butenyl ethyl ether.
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Structure Data File (SDF/MOL File) of 2-Butenyl ethyl ether
The structure data file (SDF/MOL File) of 2-Butenyl ethyl ether is available for download in the SDF page of 2-Butenyl ethyl ether, which provides the information about the atoms, bonds, connectivity and coordinates of 2-Butenyl ethyl ether. The 2-Butenyl ethyl ether structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of 2-Butenyl ethyl ether
The molecular formula of 2-Butenyl ethyl ether is available in chemical formula page of 2-Butenyl ethyl ether, 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 2-Butenyl ethyl ether
The molecular weight of 2-Butenyl ethyl ether is available in molecular weight page of 2-Butenyl ethyl ether, 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 2-Butenyl ethyl ether
The 2-Butenyl ethyl ether compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 2-Butenyl ethyl ether including the various registry numbers, if available:
- 1476-06-8
- (E)-1-ethoxybut-2-ene
2-Butenyl ethyl ether Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of 2-Butenyl ethyl ether? |
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C6H12O |
How many atoms and what are the elements included the 2-Butenyl ethyl ether molecule? |
19 atom(s) - 12 Hydrogen atom(s), 6 Carbon atom(s), and 1 Oxygen atom(s) |
How many chemical bonds and what kind of bonds are included the 2-Butenyl ethyl ether structure? |
18 bond(s) - 6 non-H bond(s), 1 multiple bond(s), 3 rotatable bond(s), 1 double bond(s), and 1 ether(s) (aliphatic) |
What’s the 2-Butenyl ethyl ether’s molecular weight? |
100.15888 g/mol |
What’s the SMILES code of 2-Butenyl ethyl ether? |
CCOCC=CC |
What’s the InChI string of 2-Butenyl ethyl ether? |
InChI=1S/C6H12O/c1-3-5-6-7-4-2/h3,5H,4,6H2,1-2H3/b5-3+ |
What’s the InChIKey code of 2-Butenyl ethyl ether? |
NDYRMWZHBBMBGD-HWKANZROSA-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).