Structure & Deep Data of Pentatriacontane (C35H72)
Identification of Pentatriacontane Chemical Compound
| Chemical Formula | C35H72 |
|---|---|
| Molecular Weight | 492.94618 g/mol |
| IUPAC Name | pentatriacontane |
| SMILES String | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC |
| InChI | InChI=1S/C35H72/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-35H2,1-2H3 |
| InChIKey | VHQQPFLOGSTQPC-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 Pentatriacontane molecule contains a total of 106 bond(s). There are 34 non-H bond(s) and 32 rotatable bond(s). Images of the chemical structure of Pentatriacontane are given below:
The 2D chemical structure image of Pentatriacontane is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Pentatriacontane 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 Pentatriacontane 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 Pentatriacontane. Download structure data file (SDF/MOL) file of this compound.
chemical table area
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of Pentatriacontane is provided here.
The Pentatriacontane 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 Pentatriacontane 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 Pentatriacontane 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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- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Pentatriacontane Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of Pentatriacontane
The SMILES string of Pentatriacontane is CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Pentatriacontane.
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Structure Data File (SDF/MOL File) of Pentatriacontane
The structure data file (SDF/MOL File) of Pentatriacontane is available for download in the SDF page of Pentatriacontane, which provides the information about the atoms, bonds, connectivity and coordinates of Pentatriacontane. The Pentatriacontane structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of Pentatriacontane
The molecular formula of Pentatriacontane is available in chemical formula page of Pentatriacontane, 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 Pentatriacontane
The molecular weight of Pentatriacontane is available in molecular weight page of Pentatriacontane, 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 Pentatriacontane
The Pentatriacontane compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Pentatriacontane including the various registry numbers, if available:
- 25E3ABFD-53A7-41A8-9766-C537F92EC7FF
- P0062
- MFCD00059397
- LMFA11000584
- ANW-34511
- Pentatriacontane, analytical standard
- Pentatriacontane (8CI)(9CI)
- 630-07-9
- N-PENTATRIACONTANE
Pentatriacontane Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of Pentatriacontane? |
|---|
| C35H72 |
| How many atoms and what are the elements included the Pentatriacontane molecule? |
| 107 atom(s) - 72 Hydrogen atom(s) and 35 Carbon atom(s) |
| How many chemical bonds and what kind of bonds are included the Pentatriacontane structure? |
| 106 bond(s) - 34 non-H bond(s) and 32 rotatable bond(s) |
| What’s the Pentatriacontane’s molecular weight? |
| 492.94618 g/mol |
| What’s the SMILES code of Pentatriacontane? |
| CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC |
| What’s the InChI string of Pentatriacontane? |
| InChI=1S/C35H72/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-35H2,1-2H3 |
| What’s the InChIKey code of Pentatriacontane? |
| VHQQPFLOGSTQPC-UHFFFAOYSA-N |
1855
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).