Structure & Deep Data of Spiro[5.5]undecane (C11H20)
Identification of Spiro[5.5]undecane Chemical Compound
Chemical Formula | C11H20 |
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Molecular Weight | 152.2765 g/mol |
IUPAC Name | spiro[5.5]undecane |
SMILES String | C1CCC2(CC1)CCCCC2 |
InChI | InChI=1S/C11H20/c1-3-7-11(8-4-1)9-5-2-6-10-11/h1-10H2 |
InChIKey | NECLQTPQJZSWOE-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 Spiro[5.5]undecane molecule contains a total of 32 bond(s). There are 12 non-H bond(s) and 2 six-membered ring(s). Images of the chemical structure of Spiro[5.5]undecane are given below:
The 2D chemical structure image of Spiro[5.5]undecane is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Spiro[5.5]undecane 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 Spiro[5.5]undecane 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 Spiro[5.5]undecane. 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 Spiro[5.5]undecane is provided here.
The Spiro[5.5]undecane 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 Spiro[5.5]undecane 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 Spiro[5.5]undecane 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 Spiro[5.5]undecane Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of Spiro[5.5]undecane
The SMILES string of Spiro[5.5]undecane is C1CCC2(CC1)CCCCC2, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Spiro[5.5]undecane.
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Structure Data File (SDF/MOL File) of Spiro[5.5]undecane
The structure data file (SDF/MOL File) of Spiro[5.5]undecane is available for download in the SDF page of Spiro[5.5]undecane, which provides the information about the atoms, bonds, connectivity and coordinates of Spiro[5.5]undecane. The Spiro[5.5]undecane structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of Spiro[5.5]undecane
The molecular formula of Spiro[5.5]undecane is available in chemical formula page of Spiro[5.5]undecane, 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 Spiro[5.5]undecane
The molecular weight of Spiro[5.5]undecane is available in molecular weight page of Spiro[5.5]undecane, 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 Spiro[5.5]undecane
The Spiro[5.5]undecane compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Spiro[5.5]undecane including the various registry numbers, if available:
- AR-1L5474
- A812821
- 180-43-8
- Spiro(5,5)undecane
- Spiro(5.5)undecane
Spiro[5.5]undecane Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of Spiro[5.5]undecane? |
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C11H20 |
How many atoms and what are the elements included the Spiro[5.5]undecane molecule? |
31 atom(s) - 20 Hydrogen atom(s) and 11 Carbon atom(s) |
How many chemical bonds and what kind of bonds are included the Spiro[5.5]undecane structure? |
32 bond(s) - 12 non-H bond(s) and 2 six-membered ring(s) |
What’s the Spiro[5.5]undecane’s molecular weight? |
152.2765 g/mol |
What’s the SMILES code of Spiro[5.5]undecane? |
C1CCC2(CC1)CCCCC2 |
What’s the InChI string of Spiro[5.5]undecane? |
InChI=1S/C11H20/c1-3-7-11(8-4-1)9-5-2-6-10-11/h1-10H2 |
What’s the InChIKey code of Spiro[5.5]undecane? |
NECLQTPQJZSWOE-UHFFFAOYSA-N |
2363
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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).