Structure & Deep Data of 1-(pentyloxy)hexane (C11H24O)
Identification of 1-(pentyloxy)hexane Chemical Compound
Chemical Formula | C11H24O |
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Molecular Weight | 172.30766 g/mol |
IUPAC Name | 1-(pentyloxy)hexane |
SMILES String | CCCCCCOCCCCC |
InChI | InChI=1S/C11H24O/c1-3-5-7-9-11-12-10-8-6-4-2/h3-11H2,1-2H3 |
InChIKey | ABMGECRLBPHGSD-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 1-(pentyloxy)hexane molecule contains a total of 35 bond(s). There are 11 non-H bond(s), 9 rotatable bond(s), and 1 ether(s) (aliphatic). Images of the chemical structure of 1-(pentyloxy)hexane are given below:
The 2D chemical structure image of 1-(pentyloxy)hexane is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 1-(pentyloxy)hexane 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 1-(pentyloxy)hexane 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 1-(pentyloxy)hexane. 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 1-(pentyloxy)hexane is provided here.
The 1-(pentyloxy)hexane 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 1-(pentyloxy)hexane 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 1-(pentyloxy)hexane 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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Additional Information for Identifying 1-(pentyloxy)hexane Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of 1-(pentyloxy)hexane
The SMILES string of 1-(pentyloxy)hexane is CCCCCCOCCCCC, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 1-(pentyloxy)hexane.
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Structure Data File (SDF/MOL File) of 1-(pentyloxy)hexane
The structure data file (SDF/MOL File) of 1-(pentyloxy)hexane is available for download in the SDF page of 1-(pentyloxy)hexane, which provides the information about the atoms, bonds, connectivity and coordinates of 1-(pentyloxy)hexane. The 1-(pentyloxy)hexane structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of 1-(pentyloxy)hexane
The molecular formula of 1-(pentyloxy)hexane is available in chemical formula page of 1-(pentyloxy)hexane, 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 1-(pentyloxy)hexane
The molecular weight of 1-(pentyloxy)hexane is available in molecular weight page of 1-(pentyloxy)hexane, 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 1-(pentyloxy)hexane
The 1-(pentyloxy)hexane compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 1-(pentyloxy)hexane including the various registry numbers, if available:
- 1-(Pentyloxy)hexane #
- hexylpentyl ether
- Ether, hexyl pentyl
- 32357-83-8
- 1-pentoxyhexane
- Hexane, 1-(pentyloxy)-
1-(pentyloxy)hexane Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of 1-(pentyloxy)hexane? |
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C11H24O |
How many atoms and what are the elements included the 1-(pentyloxy)hexane molecule? |
36 atom(s) - 24 Hydrogen atom(s), 11 Carbon atom(s), and 1 Oxygen atom(s) |
How many chemical bonds and what kind of bonds are included the 1-(pentyloxy)hexane structure? |
35 bond(s) - 11 non-H bond(s), 9 rotatable bond(s), and 1 ether(s) (aliphatic) |
What’s the 1-(pentyloxy)hexane’s molecular weight? |
172.30766 g/mol |
What’s the SMILES code of 1-(pentyloxy)hexane? |
CCCCCCOCCCCC |
What’s the InChI string of 1-(pentyloxy)hexane? |
InChI=1S/C11H24O/c1-3-5-7-9-11-12-10-8-6-4-2/h3-11H2,1-2H3 |
What’s the InChIKey code of 1-(pentyloxy)hexane? |
ABMGECRLBPHGSD-UHFFFAOYSA-N |
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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).