Structure of Reneilmol (C15H28O3)
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| Chemical Formula | C15H28O3 |
|---|---|
| Molecular Weight | 256.38102 g/mol |
| IUPAC Name | (3S,3aS,4R,5S,8R,8aR)-5,8a-dimethyl-3-(propan-2-yl)-decahydroazulene-4,5,8-triol |
| SMILES String | CC(C)C1CCC2(C)C(O)CCC(C)(O)C(O)C12 |
| InChI | InChI=1S/C15H28O3/c1-9(2)10-5-7-14(3)11(16)6-8-15(4,18)13(17)12(10)14/h9-13,16-18H,5-8H2,1-4H3/t10-,11+,12+,13+,14-,15-/m0/s1 |
| InChIKey | XUVQJFBJHKRROA-ZYIYBEKCSA-N |
| Citation | CC-DPS (Chemical Compounds Deep Profiling Services; https://www.cc-dps.com) powered by 41 patented QSQN technology based on Quantum Chemistry, Statistical Thermodynamics, Quantitative Structure-Property Relationship (QSPR), and Neural Network. |
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Chemical Structure Description
A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Reneilmol molecule contains a total of 47 bond(s). There are 19 non-H bond(s), 1 rotatable bond(s), 1 five-membered ring(s), 1 seven-membered ring(s), 1 ten-membered ring(s), 3 hydroxyl group(s), 2 secondary alcohol(s), and 1 tertiary alcohol(s). Images of the chemical structure of Reneilmol are given below:
The 2D chemical structure image of Reneilmol is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Reneilmol 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 Reneilmol 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 Reneilmol. 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 Reneilmol is provided here.
The Reneilmol 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 Reneilmol 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 Reneilmol 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.
Search Another Chemical Structure
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- Name: ethanol
- CAS #: 64-17-5
- Formula: C2H5OH
- Smiles: CCO
- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
Additional Information for Identifying Reneilmol Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of Reneilmol
The SMILES string of Reneilmol is CC(C)C1CCC2(C)C(O)CCC(C)(O)C(O)C12, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Reneilmol.
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Structure Data File (SDF/MOL File) of Reneilmol
The structure data file (SDF/MOL File) of Reneilmol is available for download in the SDF page of Reneilmol, which provides the information about the atoms, bonds, connectivity and coordinates of Reneilmol. The Reneilmol structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of Reneilmol
The molecular formula of Reneilmol is available in chemical formula page of Reneilmol, 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 Reneilmol
The molecular weight of Reneilmol is available in molecular weight page of Reneilmol, 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 Reneilmol
The Reneilmol compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Reneilmol including the various registry numbers, if available:
- W2181
- 260968-11-4
- Reneilmol
Reneilmol Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of Reneilmol? |
|---|
| C15H28O3 |
| How many atoms and what are the elements included the Reneilmol molecule? |
| 46 atom(s) - 28 Hydrogen atom(s), 15 Carbon atom(s), and 3 Oxygen atom(s) |
| How many chemical bonds and what kind of bonds are included the Reneilmol structure? |
| 47 bond(s) - 19 non-H bond(s), 1 rotatable bond(s), 1 five-membered ring(s), 1 seven-membered ring(s), 1 ten-membered ring(s), 3 hydroxyl group(s), 2 secondary alcohol(s), and 1 tertiary alcohol(s) |
| What’s the Reneilmol’s molecular weight? |
| 256.38102 g/mol |
| What’s the SMILES code of Reneilmol? |
| CC(C)C1CCC2(C)C(O)CCC(C)(O)C(O)C12 |
| What’s the InChI string of Reneilmol? |
| InChI=1S/C15H28O3/c1-9(2)10-5-7-14(3)11(16)6-8-15(4,18)13(17)12(10)14/h9-13,16-18H,5-8H2,1-4H3/t10-,11+,12+,13+,14-,15-/m0/s1 |
| What’s the InChIKey code of Reneilmol? |
| XUVQJFBJHKRROA-ZYIYBEKCSA-N |