Structure & Deep Data of Di-PPG-2 myreth-10 adipate (C44H86O8)
Identification of Di-PPG-2 myreth-10 adipate Chemical Compound
| Chemical Formula | C44H86O8 |
|---|---|
| Molecular Weight | 743.14884 g/mol |
| IUPAC Name | 1,6-bis({2-[2-(tetradecyloxy)propoxy]ethyl}) hexanedioate |
| SMILES String | CCCCCCCCCCCCCCOC(C)COCCOC(=O)CCCCC(=O)OCCOCC(C)OCCCCCCCCCCCCCC |
| InChI | InChI=1S/C44H86O8/c1-5-7-9-11-13-15-17-19-21-23-25-29-33-49-41(3)39-47-35-37-51-43(45)31-27-28-32-44(46)52-38-36-48-40-42(4)50-34-30-26-24-22-20-18-16-14-12-10-8-6-2/h41-42H,5-40H2,1-4H3 |
| InChIKey | CMTCGMZAWBVEGZ-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 Di-PPG-2 myreth-10 adipate molecule contains a total of 137 bond(s). There are 51 non-H bond(s), 2 multiple bond(s), 45 rotatable bond(s), 2 double bond(s), 2 ester(s) (aliphatic), and 4 ether(s) (aliphatic). Images of the chemical structure of Di-PPG-2 myreth-10 adipate are given below:
The 2D chemical structure image of Di-PPG-2 myreth-10 adipate is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Di-PPG-2 myreth-10 adipate 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 Di-PPG-2 myreth-10 adipate 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 Di-PPG-2 myreth-10 adipate. 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 Di-PPG-2 myreth-10 adipate is provided here.
The Di-PPG-2 myreth-10 adipate 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 Di-PPG-2 myreth-10 adipate 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 Di-PPG-2 myreth-10 adipate 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 Di-PPG-2 myreth-10 adipate Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of Di-PPG-2 myreth-10 adipate
The SMILES string of Di-PPG-2 myreth-10 adipate is CCCCCCCCCCCCCCOC(C)COCCOC(=O)CCCCC(=O)OCCOCC(C)OCCCCCCCCCCCCCC, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Di-PPG-2 myreth-10 adipate.
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Structure Data File (SDF/MOL File) of Di-PPG-2 myreth-10 adipate
The structure data file (SDF/MOL File) of Di-PPG-2 myreth-10 adipate is available for download in the SDF page of Di-PPG-2 myreth-10 adipate, which provides the information about the atoms, bonds, connectivity and coordinates of Di-PPG-2 myreth-10 adipate. The Di-PPG-2 myreth-10 adipate structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of Di-PPG-2 myreth-10 adipate
The molecular formula of Di-PPG-2 myreth-10 adipate is available in chemical formula page of Di-PPG-2 myreth-10 adipate, 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 Di-PPG-2 myreth-10 adipate
The molecular weight of Di-PPG-2 myreth-10 adipate is available in molecular weight page of Di-PPG-2 myreth-10 adipate, 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 Di-PPG-2 myreth-10 adipate
The Di-PPG-2 myreth-10 adipate compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Di-PPG-2 myreth-10 adipate including the various registry numbers, if available:
- Oxirane, methyl-, polymer with oxirane, hexanedioate (2:1), ditetradecyl ether
- 397247-05-1
- Oxirane, 2-methyl-, polymer with oxirane, hexanedioate (2:1), ditetradecyl ether
- Di-PPG-2 myreth-10 adipate
Di-PPG-2 myreth-10 adipate Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of Di-PPG-2 myreth-10 adipate? |
|---|
| C44H86O8 |
| How many atoms and what are the elements included the Di-PPG-2 myreth-10 adipate molecule? |
| 138 atom(s) - 86 Hydrogen atom(s), 44 Carbon atom(s), and 8 Oxygen atom(s) |
| How many chemical bonds and what kind of bonds are included the Di-PPG-2 myreth-10 adipate structure? |
| 137 bond(s) - 51 non-H bond(s), 2 multiple bond(s), 45 rotatable bond(s), 2 double bond(s), 2 ester(s) (aliphatic), and 4 ether(s) (aliphatic) |
| What’s the Di-PPG-2 myreth-10 adipate’s molecular weight? |
| 743.14884 g/mol |
| What’s the SMILES code of Di-PPG-2 myreth-10 adipate? |
| CCCCCCCCCCCCCCOC(C)COCCOC(=O)CCCCC(=O)OCCOCC(C)OCCCCCCCCCCCCCC |
| What’s the InChI string of Di-PPG-2 myreth-10 adipate? |
| InChI=1S/C44H86O8/c1-5-7-9-11-13-15-17-19-21-23-25-29-33-49-41(3)39-47-35-37-51-43(45)31-27-28-32-44(46)52-38-36-48-40-42(4)50-34-30-26-24-22-20-18-16-14-12-10-8-6-2/h41-42H,5-40H2,1-4H3 |
| What’s the InChIKey code of Di-PPG-2 myreth-10 adipate? |
| CMTCGMZAWBVEGZ-UHFFFAOYSA-N |
2413
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).