Structure of Trans-1-Butene,1-butoxy- (C8H16O)
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| Chemical Formula | C8H16O |
|---|---|
| Molecular Weight | 128.21204 g/mol |
| IUPAC Name | (1E)-1-butoxybut-1-ene |
| SMILES String | CCCCOC=CCC |
| InChI | InChI=1S/C8H16O/c1-3-5-7-9-8-6-4-2/h5,7H,3-4,6,8H2,1-2H3/b7-5+ |
| InChIKey | GCRUYRFHWGPWHJ-FNORWQNLSA-N |
| Citation | CC-DPS (Chemical Compounds Deep Profiling Services; https://www.cc-dps.com) powered by 41 patented QSQN technology based on Quantum Chemistry, Statistical Thermodynamics, Quantitative Structure-Property Relationship (QSPR), and Neural Network. |
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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 trans-1-Butene,1-butoxy- molecule contains a total of 24 bond(s). There are 8 non-H bond(s), 1 multiple bond(s), 5 rotatable bond(s), 1 double bond(s), and 1 ether(s) (aliphatic). Images of the chemical structure of trans-1-Butene,1-butoxy- are given below:
The 2D chemical structure image of trans-1-Butene,1-butoxy- is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of trans-1-Butene,1-butoxy- 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 trans-1-Butene,1-butoxy- 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 trans-1-Butene,1-butoxy-. 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 trans-1-Butene,1-butoxy- is provided here.
The trans-1-Butene,1-butoxy- 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 trans-1-Butene,1-butoxy- 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 trans-1-Butene,1-butoxy- 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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- Name: ethanol
- CAS #: 64-17-5
- Formula: C2H5OH
- Smiles: CCO
- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
Additional Information for Identifying Trans-1-Butene,1-butoxy- Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of trans-1-Butene,1-butoxy-
The SMILES string of trans-1-Butene,1-butoxy- is CCCCOC=CCC, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the trans-1-Butene,1-butoxy-.
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Structure Data File (SDF/MOL File) of trans-1-Butene,1-butoxy-
The structure data file (SDF/MOL File) of trans-1-Butene,1-butoxy- is available for download in the SDF page of trans-1-Butene,1-butoxy-, which provides the information about the atoms, bonds, connectivity and coordinates of trans-1-Butene,1-butoxy-. The trans-1-Butene,1-butoxy- structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of trans-1-Butene,1-butoxy-
The molecular formula of trans-1-Butene,1-butoxy- is available in chemical formula page of trans-1-Butene,1-butoxy-, 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 trans-1-Butene,1-butoxy-
The molecular weight of trans-1-Butene,1-butoxy- is available in molecular weight page of trans-1-Butene,1-butoxy-, 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 trans-1-Butene,1-butoxy-
The trans-1-Butene,1-butoxy- compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of trans-1-Butene,1-butoxy- including the various registry numbers, if available:
- trans-1-Butene,1-butoxy-
- 1-butoxybut-1-ene
Trans-1-Butene,1-butoxy- Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of trans-1-Butene,1-butoxy-? |
|---|
| C8H16O |
| How many atoms and what are the elements included the trans-1-Butene,1-butoxy- molecule? |
| 25 atom(s) - 16 Hydrogen atom(s), 8 Carbon atom(s), and 1 Oxygen atom(s) |
| How many chemical bonds and what kind of bonds are included the trans-1-Butene,1-butoxy- structure? |
| 24 bond(s) - 8 non-H bond(s), 1 multiple bond(s), 5 rotatable bond(s), 1 double bond(s), and 1 ether(s) (aliphatic) |
| What’s the trans-1-Butene,1-butoxy-’s molecular weight? |
| 128.21204 g/mol |
| What’s the SMILES code of trans-1-Butene,1-butoxy-? |
| CCCCOC=CCC |
| What’s the InChI string of trans-1-Butene,1-butoxy-? |
| InChI=1S/C8H16O/c1-3-5-7-9-8-6-4-2/h5,7H,3-4,6,8H2,1-2H3/b7-5+ |
| What’s the InChIKey code of trans-1-Butene,1-butoxy-? |
| GCRUYRFHWGPWHJ-FNORWQNLSA-N |