Structure & Deep Data of ETHYLIDENE DIACETATE (C6H10O4)
Identification of ETHYLIDENE DIACETATE Chemical Compound
Chemical Formula | C6H10O4 |
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Molecular Weight | 146.1412 g/mol |
IUPAC Name | 1-(acetyloxy)ethyl acetate |
SMILES String | CC(OC(C)=O)OC(C)=O |
InChI | InChI=1S/C6H10O4/c1-4(7)9-6(3)10-5(2)8/h6H,1-3H3 |
InChIKey | ACKALUBLCWJVNB-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 ETHYLIDENE DIACETATE molecule contains a total of 19 bond(s). There are 9 non-H bond(s), 2 multiple bond(s), 4 rotatable bond(s), 2 double bond(s), and 2 ester(s) (aliphatic). Images of the chemical structure of ETHYLIDENE DIACETATE are given below:
The 2D chemical structure image of ETHYLIDENE DIACETATE is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of ETHYLIDENE DIACETATE 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 ETHYLIDENE DIACETATE 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 ETHYLIDENE DIACETATE. 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 ETHYLIDENE DIACETATE is provided here.
The ETHYLIDENE DIACETATE 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 ETHYLIDENE DIACETATE 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 ETHYLIDENE DIACETATE 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
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- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying ETHYLIDENE DIACETATE Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of ETHYLIDENE DIACETATE
The SMILES string of ETHYLIDENE DIACETATE is CC(OC(C)=O)OC(C)=O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the ETHYLIDENE DIACETATE.
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Structure Data File (SDF/MOL File) of ETHYLIDENE DIACETATE
The structure data file (SDF/MOL File) of ETHYLIDENE DIACETATE is available for download in the SDF page of ETHYLIDENE DIACETATE, which provides the information about the atoms, bonds, connectivity and coordinates of ETHYLIDENE DIACETATE. The ETHYLIDENE DIACETATE structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of ETHYLIDENE DIACETATE
The molecular formula of ETHYLIDENE DIACETATE is available in chemical formula page of ETHYLIDENE DIACETATE, 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 ETHYLIDENE DIACETATE
The molecular weight of ETHYLIDENE DIACETATE is available in molecular weight page of ETHYLIDENE DIACETATE, 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 ETHYLIDENE DIACETATE
The ETHYLIDENE DIACETATE compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of ETHYLIDENE DIACETATE including the various registry numbers, if available:
- AR-1B4499
- KST-1B6424
- 91593-91-8
- 895131-80-3
- 69345-93-3
- 69345-92-2
- 55799-51-4
- 39434-47-4
- 39423-33-1
- 11098-35-4
- I14-10682
- C-52375
- E0030
- CAS-542-10-9
- 9085-38-5
- MFCD00014980
- 7480AF
- 1,1-Ethanediol,1,1-diacetate
- KL1S8V6W25
- 1-(Acetyloxy)ethyl acetate #
- 1,1'-Diacetoxy-ethane
- 1-acetyloxyethyl acetate
- Diacetic acid ethylidene
- Ethylidenediacetate
- Ethylidene di(acetate)
- Polyoxymethylenes
- 66455-31-0
- 1,1-Ethanediol, 1,1-diacetate
- 1-acetoxyethyl acetate
- Delrin
- ethane-1,1-diyl diacetate
- 1,1-Ethanediol, diacetate
- Ethylidene acetate
- 1,1-Ethanediol Diacetate
- 542-10-9
- 1,1-Diacetoxyethane
- ETHYLIDENE DIACETATE
ETHYLIDENE DIACETATE Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of ETHYLIDENE DIACETATE? |
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C6H10O4 |
How many atoms and what are the elements included the ETHYLIDENE DIACETATE molecule? |
20 atom(s) - 10 Hydrogen atom(s), 6 Carbon atom(s), and 4 Oxygen atom(s) |
How many chemical bonds and what kind of bonds are included the ETHYLIDENE DIACETATE structure? |
19 bond(s) - 9 non-H bond(s), 2 multiple bond(s), 4 rotatable bond(s), 2 double bond(s), and 2 ester(s) (aliphatic) |
What’s the ETHYLIDENE DIACETATE’s molecular weight? |
146.1412 g/mol |
What’s the SMILES code of ETHYLIDENE DIACETATE? |
CC(OC(C)=O)OC(C)=O |
What’s the InChI string of ETHYLIDENE DIACETATE? |
InChI=1S/C6H10O4/c1-4(7)9-6(3)10-5(2)8/h6H,1-3H3 |
What’s the InChIKey code of ETHYLIDENE DIACETATE? |
ACKALUBLCWJVNB-UHFFFAOYSA-N |
1725
The contents of this page can freely be shared if cited as follows:
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).