Structure of Cannabifuran (C21H26O2)
Powered by CC-DPS Delivering 2,100+ Information Sets per Compound.
| Chemical Formula | C21H26O2 |
|---|---|
| Molecular Weight | 310.42994 g/mol |
| IUPAC Name | 10-methyl-5-pentyl-13-(propan-2-yl)-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaen-3-ol |
| SMILES String | CCCCCc1cc(O)c2c(c1)oc3c(C)ccc(C(C)C)c23 |
| InChI | InChI=1S/C21H26O2/c1-5-6-7-8-15-11-17(22)20-18(12-15)23-21-14(4)9-10-16(13(2)3)19(20)21/h9-13,22H,5-8H2,1-4H3 |
| InChIKey | VNGQMWZHHNCMLQ-UHFFFAOYSA-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. |
Content on this page is sourced from CC-DPS (Chemical Compounds Deep Profiling Services), which provides more than 2,100 additional essential information sets for each chemical compound. Discover CC-DPS
Chemical Structure Description
A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Cannabifuran molecule contains a total of 51 bond(s). There are 25 non-H bond(s), 15 multiple bond(s), 5 rotatable bond(s), 15 aromatic bond(s), 1 five-membered ring(s), 2 six-membered ring(s), 2 nine-membered ring(s), 1 aromatic hydroxyl(s), and 1 Furane(s). Images of the chemical structure of Cannabifuran are given below:
The 2D chemical structure image of Cannabifuran is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Cannabifuran 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 Cannabifuran 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 Cannabifuran. 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 Cannabifuran is provided here.
The Cannabifuran 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 Cannabifuran 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 Cannabifuran 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
Enter another compound to search for chemical structure:
Input example for Ethanol:
- 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 Cannabifuran Molecule
-
SMILES (Simplified Molecular-Input Line-Entry System) string of Cannabifuran
The SMILES string of Cannabifuran is CCCCCc1cc(O)c2c(c1)oc3c(C)ccc(C(C)C)c23, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Cannabifuran.
-
Structure Data File (SDF/MOL File) of Cannabifuran
The structure data file (SDF/MOL File) of Cannabifuran is available for download in the SDF page of Cannabifuran, which provides the information about the atoms, bonds, connectivity and coordinates of Cannabifuran. The Cannabifuran structure data file can be imported to most of the cheminformatics software systems and applications.
-
Chemical formula of Cannabifuran
The molecular formula of Cannabifuran is available in chemical formula page of Cannabifuran, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
-
Molecular weight of Cannabifuran
The molecular weight of Cannabifuran is available in molecular weight page of Cannabifuran, 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.
-
Other names (synonyms) or registry numbers of Cannabifuran
The Cannabifuran compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Cannabifuran including the various registry numbers, if available:
- 56154-58-6
- Cannabifuran
Cannabifuran Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of Cannabifuran? |
|---|
| C21H26O2 |
| How many atoms and what are the elements included the Cannabifuran molecule? |
| 49 atom(s) - 26 Hydrogen atom(s), 21 Carbon atom(s), and 2 Oxygen atom(s) |
| How many chemical bonds and what kind of bonds are included the Cannabifuran structure? |
| 51 bond(s) - 25 non-H bond(s), 15 multiple bond(s), 5 rotatable bond(s), 15 aromatic bond(s), 1 five-membered ring(s), 2 six-membered ring(s), 2 nine-membered ring(s), 1 aromatic hydroxyl(s), and 1 Furane(s) |
| What’s the Cannabifuran’s molecular weight? |
| 310.42994 g/mol |
| What’s the SMILES code of Cannabifuran? |
| CCCCCc1cc(O)c2c(c1)oc3c(C)ccc(C(C)C)c23 |
| What’s the InChI string of Cannabifuran? |
| InChI=1S/C21H26O2/c1-5-6-7-8-15-11-17(22)20-18(12-15)23-21-14(4)9-10-16(13(2)3)19(20)21/h9-13,22H,5-8H2,1-4H3 |
| What’s the InChIKey code of Cannabifuran? |
| VNGQMWZHHNCMLQ-UHFFFAOYSA-N |