Structure & Deep Data of 2-Ethoxyethyl chloroformate (C5H9ClO3)
Identification of 2-Ethoxyethyl chloroformate Chemical Compound
Chemical Formula | C5H9ClO3 |
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Molecular Weight | 152.57586 g/mol |
IUPAC Name | 2-ethoxyethyl chloroformate |
SMILES String | CCOCCOC(Cl)=O |
InChI | InChI=1S/C5H9ClO3/c1-2-8-3-4-9-5(6)7/h2-4H2,1H3 |
InChIKey | BAKGFNOISJEFPX-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 2-Ethoxyethyl chloroformate molecule contains a total of 17 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 2-Ethoxyethyl chloroformate are given below:
The 2D chemical structure image of 2-Ethoxyethyl chloroformate is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 2-Ethoxyethyl chloroformate 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-Ethoxyethyl chloroformate 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-Ethoxyethyl chloroformate. 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-Ethoxyethyl chloroformate is provided here.
The 2-Ethoxyethyl chloroformate 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-Ethoxyethyl chloroformate 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-Ethoxyethyl chloroformate 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-Ethoxyethyl chloroformate Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of 2-Ethoxyethyl chloroformate
The SMILES string of 2-Ethoxyethyl chloroformate is CCOCCOC(Cl)=O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 2-Ethoxyethyl chloroformate.
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Structure Data File (SDF/MOL File) of 2-Ethoxyethyl chloroformate
The structure data file (SDF/MOL File) of 2-Ethoxyethyl chloroformate is available for download in the SDF page of 2-Ethoxyethyl chloroformate, which provides the information about the atoms, bonds, connectivity and coordinates of 2-Ethoxyethyl chloroformate. The 2-Ethoxyethyl chloroformate structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of 2-Ethoxyethyl chloroformate
The molecular formula of 2-Ethoxyethyl chloroformate is available in chemical formula page of 2-Ethoxyethyl chloroformate, 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-Ethoxyethyl chloroformate
The molecular weight of 2-Ethoxyethyl chloroformate is available in molecular weight page of 2-Ethoxyethyl chloroformate, 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-Ethoxyethyl chloroformate
The 2-Ethoxyethyl chloroformate 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-Ethoxyethyl chloroformate including the various registry numbers, if available:
- AR-1E1340
- I14-8175
- CHLOROCARBONIC ACID2-ETHOXY-ETHYL ESTER
- Chlorocarbonic acid 2-ethoxyethyl ester
- chlorocarbonicacid2-ethoxy-ethylester
- 2-Ethoxyethylchloroformate
- 2-ethoxyethylchlorocarbonat
- Carbonochloridic acid,2-ethoxyethyl ester
- chlorocarbonic acid 2-ethoxy-ethyl ester
- 2-ethoxyethyl chlorocarbonate
- 2-ethoxyethyl carbonochloridate
- 628-64-8
2-Ethoxyethyl chloroformate Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of 2-Ethoxyethyl chloroformate? |
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C5H9ClO3 |
How many atoms and what are the elements included the 2-Ethoxyethyl chloroformate molecule? |
18 atom(s) - 9 Hydrogen atom(s), 5 Carbon atom(s), 3 Oxygen atom(s), and 1 Chlorine atom(s) |
How many chemical bonds and what kind of bonds are included the 2-Ethoxyethyl chloroformate structure? |
17 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 2-Ethoxyethyl chloroformate’s molecular weight? |
152.57586 g/mol |
What’s the SMILES code of 2-Ethoxyethyl chloroformate? |
CCOCCOC(Cl)=O |
What’s the InChI string of 2-Ethoxyethyl chloroformate? |
InChI=1S/C5H9ClO3/c1-2-8-3-4-9-5(6)7/h2-4H2,1H3 |
What’s the InChIKey code of 2-Ethoxyethyl chloroformate? |
BAKGFNOISJEFPX-UHFFFAOYSA-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).