Structure & Deep Data of 3-Hydroxydecanoic acid (C10H20O3)
Identification of 3-Hydroxydecanoic acid Chemical Compound
Chemical Formula | C10H20O3 |
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Molecular Weight | 188.264 g/mol |
IUPAC Name | 3-hydroxydecanoic acid |
SMILES String | CCCCCCCC(O)CC(O)=O |
InChI | InChI=1S/C10H20O3/c1-2-3-4-5-6-7-9(11)8-10(12)13/h9,11H,2-8H2,1H3,(H,12,13) |
InChIKey | FYSSBMZUBSBFJL-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 3-Hydroxydecanoic acid molecule contains a total of 32 bond(s). There are 12 non-H bond(s), 1 multiple bond(s), 8 rotatable bond(s), 1 double bond(s), 1 carboxylic acid(s) (aliphatic), 2 hydroxyl group(s), and 1 secondary alcohol(s). Images of the chemical structure of 3-Hydroxydecanoic acid are given below:
The 2D chemical structure image of 3-Hydroxydecanoic acid is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 3-Hydroxydecanoic acid 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 3-Hydroxydecanoic acid 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 3-Hydroxydecanoic acid. 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 3-Hydroxydecanoic acid is provided here.
The 3-Hydroxydecanoic acid 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 3-Hydroxydecanoic acid 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 3-Hydroxydecanoic acid 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 3-Hydroxydecanoic acid Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of 3-Hydroxydecanoic acid
The SMILES string of 3-Hydroxydecanoic acid is CCCCCCCC(O)CC(O)=O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 3-Hydroxydecanoic acid.
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Structure Data File (SDF/MOL File) of 3-Hydroxydecanoic acid
The structure data file (SDF/MOL File) of 3-Hydroxydecanoic acid is available for download in the SDF page of 3-Hydroxydecanoic acid, which provides the information about the atoms, bonds, connectivity and coordinates of 3-Hydroxydecanoic acid. The 3-Hydroxydecanoic acid structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of 3-Hydroxydecanoic acid
The molecular formula of 3-Hydroxydecanoic acid is available in chemical formula page of 3-Hydroxydecanoic acid, 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 3-Hydroxydecanoic acid
The molecular weight of 3-Hydroxydecanoic acid is available in molecular weight page of 3-Hydroxydecanoic acid, 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 3-Hydroxydecanoic acid
The 3-Hydroxydecanoic acid compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 3-Hydroxydecanoic acid including the various registry numbers, if available:
- A74EFF12-378B-4657-9726-F37DBE2A9013
- ( inverted exclamation markA)-3-Hydroxydecanoic acid
- (+/-)-3-Hydroxydecanoic acid, >=98%
- LMFA01050153
- 3-OH-C10
- (+/-)-3 -Hydroxy-decanoic Acid
- (+/-)-3-Hydroxy-decanoic Acid
- HMDB02203
- (+/-)3-hydroxy-decanoic acid
- GTPL5848
- (+/-)3-hydroxy-decanoate
- rac 3-Hydroxydecanoic Acid
- DL-beta-Hydroxycapric acid
- D,L-B-Hydroxycapric Acid
- DL-|A-Hydroxycapric acid
- beta-hydroxycapric acid
- 3-hydroxy capric acid
- 3-hydroxy-decanoate
- (+-)-3-Hydroxydecanoic acid
- 33044-91-6
- Beta-hydroxydecanoate
- 3-Hydroxydecanoate
- MFCD00133275
- Decanoic acid, 3-hydroxy-, (+-)-
- 5561-87-5
- Decanoic acid,3-hydroxy-
- Decanoic acid, 3-hydroxy-
- 3-Hydroxy-decanoic acid
- Myrmicacin
- beta-Hydroxydecanoic acid
- (+/-)-3-Hydroxydecanoic acid
- 14292-26-3
- 3-HDA
- 3-HYDROXYCAPRIC ACID
3-Hydroxydecanoic acid Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of 3-Hydroxydecanoic acid? |
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C10H20O3 |
How many atoms and what are the elements included the 3-Hydroxydecanoic acid molecule? |
33 atom(s) - 20 Hydrogen atom(s), 10 Carbon atom(s), and 3 Oxygen atom(s) |
How many chemical bonds and what kind of bonds are included the 3-Hydroxydecanoic acid structure? |
32 bond(s) - 12 non-H bond(s), 1 multiple bond(s), 8 rotatable bond(s), 1 double bond(s), 1 carboxylic acid(s) (aliphatic), 2 hydroxyl group(s), and 1 secondary alcohol(s) |
What’s the 3-Hydroxydecanoic acid’s molecular weight? |
188.264 g/mol |
What’s the SMILES code of 3-Hydroxydecanoic acid? |
CCCCCCCC(O)CC(O)=O |
What’s the InChI string of 3-Hydroxydecanoic acid? |
InChI=1S/C10H20O3/c1-2-3-4-5-6-7-9(11)8-10(12)13/h9,11H,2-8H2,1H3,(H,12,13) |
What’s the InChIKey code of 3-Hydroxydecanoic acid? |
FYSSBMZUBSBFJL-UHFFFAOYSA-N |
261
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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).