Structure & Deep Data of 2,3-Dihydroxypropyl decanoate (C13H26O4)
Identification of 2,3-Dihydroxypropyl decanoate Chemical Compound
| Chemical Formula | C13H26O4 |
|---|---|
| Molecular Weight | 246.34314 g/mol |
| IUPAC Name | 2,3-dihydroxypropyl decanoate |
| SMILES String | CCCCCCCCCC(=O)OCC(O)CO |
| InChI | InChI=1S/C13H26O4/c1-2-3-4-5-6-7-8-9-13(16)17-11-12(15)10-14/h12,14-15H,2-11H2,1H3 |
| InChIKey | LKUNXBRZDFMZOK-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 2,3-Dihydroxypropyl decanoate molecule contains a total of 42 bond(s). There are 16 non-H bond(s), 1 multiple bond(s), 12 rotatable bond(s), 1 double bond(s), 1 ester(s) (aliphatic), 2 hydroxyl group(s), 1 primary alcohol(s), and 1 secondary alcohol(s). Images of the chemical structure of 2,3-Dihydroxypropyl decanoate are given below:
The 2D chemical structure image of 2,3-Dihydroxypropyl decanoate is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 2,3-Dihydroxypropyl decanoate 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 2,3-Dihydroxypropyl decanoate 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 2,3-Dihydroxypropyl decanoate. 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 2,3-Dihydroxypropyl decanoate is provided here.
The 2,3-Dihydroxypropyl decanoate 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 2,3-Dihydroxypropyl decanoate 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 2,3-Dihydroxypropyl decanoate 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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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying 2,3-Dihydroxypropyl decanoate Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of 2,3-Dihydroxypropyl decanoate
The SMILES string of 2,3-Dihydroxypropyl decanoate is CCCCCCCCCC(=O)OCC(O)CO, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 2,3-Dihydroxypropyl decanoate.
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Structure Data File (SDF/MOL File) of 2,3-Dihydroxypropyl decanoate
The structure data file (SDF/MOL File) of 2,3-Dihydroxypropyl decanoate is available for download in the SDF page of 2,3-Dihydroxypropyl decanoate, which provides the information about the atoms, bonds, connectivity and coordinates of 2,3-Dihydroxypropyl decanoate. The 2,3-Dihydroxypropyl decanoate structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of 2,3-Dihydroxypropyl decanoate
The molecular formula of 2,3-Dihydroxypropyl decanoate is available in chemical formula page of 2,3-Dihydroxypropyl decanoate, 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 2,3-Dihydroxypropyl decanoate
The molecular weight of 2,3-Dihydroxypropyl decanoate is available in molecular weight page of 2,3-Dihydroxypropyl decanoate, 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 2,3-Dihydroxypropyl decanoate
The 2,3-Dihydroxypropyl decanoate compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 2,3-Dihydroxypropyl decanoate including the various registry numbers, if available:
- 11139-88-1
- I14-56136
- J-016411
- C-44184
- M1072
- 1322-59-4
- RTR-036310
- MG 10:0
- (+-)-2,3-dihydroxypropyl decanoate
- MFCD00056656
- BDBM50357392
- AR-1D2607
- ANW-42092
- 2349AB
- 1-Decanoyl-rac-glycerol, >=99%
- HMS3374D10
- HMS2231D08
- rac-2,3-dihydroxypropyl decanoate
- Capric acid .alpha.-monoglyceride
- 2,3-Dihydroxypropyl decanoate #
- Decanoic acid 1-monoglyceride
- Glycerol alpha-Monodecanoate
- rac-1-monodecanoylglycerol
- Glycerol 1-monodecanoate
- rac-1-monocaprylglycerol
- rac-1-decanoylglycerol
- Decanoic acid, monoester with glycerol
- 1-monodecanoylglycerol
- 1-monocaprylglycerol
- 69070-60-6
- .alpha.-Monocaprin
- 1-decanoylglycerol
- MONOCTANOIN COMPONENT B
- Glycerol 1-monocaprinate
- Decanoic acid, ester with triglycerol trioctanoate
- Glyceryl monocaprate
- Triglycerol trioctanoate decanoate
- Decanoic acid, monoester with 1,2,3-propanetriol
- 1-Decanoyl-rac-glycerol
- 2277-23-8
- rac-Glycerol 1-monodecanoate
- 1-Monodecanoyl Glycerol
- Decanoin, 1-mono-
- Decanoic acid, 2,3-dihydroxypropyl ester
- 1-Monocaprin
- 26402-22-2
- Glyceryl caprate
- MONOCAPRIN
2,3-Dihydroxypropyl decanoate Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of 2,3-Dihydroxypropyl decanoate? |
|---|
| C13H26O4 |
| How many atoms and what are the elements included the 2,3-Dihydroxypropyl decanoate molecule? |
| 43 atom(s) - 26 Hydrogen atom(s), 13 Carbon atom(s), and 4 Oxygen atom(s) |
| How many chemical bonds and what kind of bonds are included the 2,3-Dihydroxypropyl decanoate structure? |
| 42 bond(s) - 16 non-H bond(s), 1 multiple bond(s), 12 rotatable bond(s), 1 double bond(s), 1 ester(s) (aliphatic), 2 hydroxyl group(s), 1 primary alcohol(s), and 1 secondary alcohol(s) |
| What’s the 2,3-Dihydroxypropyl decanoate’s molecular weight? |
| 246.34314 g/mol |
| What’s the SMILES code of 2,3-Dihydroxypropyl decanoate? |
| CCCCCCCCCC(=O)OCC(O)CO |
| What’s the InChI string of 2,3-Dihydroxypropyl decanoate? |
| InChI=1S/C13H26O4/c1-2-3-4-5-6-7-8-9-13(16)17-11-12(15)10-14/h12,14-15H,2-11H2,1H3 |
| What’s the InChIKey code of 2,3-Dihydroxypropyl decanoate? |
| LKUNXBRZDFMZOK-UHFFFAOYSA-N |
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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).