Structure & Deep Data of Traseolide (C18H26O)
Identification of Traseolide Chemical Compound
Chemical Formula | C18H26O |
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Molecular Weight | 258.39844 g/mol |
IUPAC Name | 1-[1,1,2,6-tetramethyl-3-(propan-2-yl)-2,3-dihydro-1H-inden-5-yl]ethan-1-one |
SMILES String | CC(C)C1C(C)C(C)(C)c2cc(C)c(cc12)C(C)=O |
InChI | InChI=1S/C18H26O/c1-10(2)17-12(4)18(6,7)16-8-11(3)14(13(5)19)9-15(16)17/h8-10,12,17H,1-7H3 |
InChIKey | IMRYETFJNLKUHK-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 Traseolide molecule contains a total of 46 bond(s). There are 20 non-H bond(s), 7 multiple bond(s), 2 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 five-membered ring(s), 1 six-membered ring(s), 1 nine-membered ring(s), and 1 ketone(s) (aromatic). Images of the chemical structure of Traseolide are given below:
The 2D chemical structure image of Traseolide is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Traseolide 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 Traseolide 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 Traseolide. 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 Traseolide is provided here.
The Traseolide 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 Traseolide 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 Traseolide 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
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Additional Information for Identifying Traseolide Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of Traseolide
The SMILES string of Traseolide is CC(C)C1C(C)C(C)(C)c2cc(C)c(cc12)C(C)=O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Traseolide.
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Structure Data File (SDF/MOL File) of Traseolide
The structure data file (SDF/MOL File) of Traseolide is available for download in the SDF page of Traseolide, which provides the information about the atoms, bonds, connectivity and coordinates of Traseolide. The Traseolide structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of Traseolide
The molecular formula of Traseolide is available in chemical formula page of Traseolide, 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 Traseolide
The molecular weight of Traseolide is available in molecular weight page of Traseolide, 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 Traseolide
The Traseolide compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Traseolide including the various registry numbers, if available:
- Ethanone,1-[2,3-dihydro-1,1,2,6-tetramethyl-3-(1-methylethyl)-1H-inden-5-yl]-
- 1-[2,3-Dihydro-1,1,2,6-tetramethyl-3-(1-methylethyl)-1H-inden-5-yl]ethanone
- 1-(1,1,2,6-tetramethyl-3-propan-2-yl-2,3-dihydroinden-5-yl)ethanone
- 5-Acetyl-1,1,2,6-tetramethyl-3-isopropyl-2,3-dihydroindene
- 1-(3-isopropyl-1,1,2,6-tetramethyl-indan-5-yl)ethanone
- 6-acetyl-1-isopropyl-2,3,3,5-tetramethyl indan
- 5-Acetyl-1,1,2,6-tetramethyl-3-isopropylindan
- AR-1G6934
- 1-[2,3-Dihydro-1,1,2,6-tetramethyl-3-(1-methylethyl)-1H-inden-5-yl]ethan-1-one
- 1-(2,3-Dihydro-1,1,2,6-tetramethyl-3-(1-methylethyl)-1H-inden-5-yl)ethan-1-one
- 1-[1,1,2,6-tetramethyl-3-(propan-2-yl)-2,3-dihydro-1H-inden-5-yl]ethanone
- 5-Acetyl-3-isopropyl-1,1,2,6-tetramethylindane
- Ethanone, 1-[2,3-dihydro-1,1,2,6-tetramethyl-3-(1-methylethyl)-1H-inden-5-yl]-
- Ethanone, 1-(2,3-dihydro-1,1,2,6-tetramethyl-3-(1-methylethyl)-1H-inden-5-yl)-
- Ketone, 3-isopropyl-1,1,2,6-tetramethyl-5-indanyl methyl
- 5-acetyl-1,1,2,6-tetramethyl-3-isopropylindane
- Traesolide
- 68140-48-7
- Traseolide
Traseolide Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of Traseolide? |
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C18H26O |
How many atoms and what are the elements included the Traseolide molecule? |
45 atom(s) - 26 Hydrogen atom(s), 18 Carbon atom(s), and 1 Oxygen atom(s) |
How many chemical bonds and what kind of bonds are included the Traseolide structure? |
46 bond(s) - 20 non-H bond(s), 7 multiple bond(s), 2 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 five-membered ring(s), 1 six-membered ring(s), 1 nine-membered ring(s), and 1 ketone(s) (aromatic) |
What’s the Traseolide’s molecular weight? |
258.39844 g/mol |
What’s the SMILES code of Traseolide? |
CC(C)C1C(C)C(C)(C)c2cc(C)c(cc12)C(C)=O |
What’s the InChI string of Traseolide? |
InChI=1S/C18H26O/c1-10(2)17-12(4)18(6,7)16-8-11(3)14(13(5)19)9-15(16)17/h8-10,12,17H,1-7H3 |
What’s the InChIKey code of Traseolide? |
IMRYETFJNLKUHK-UHFFFAOYSA-N |
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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).