Structure & Deep Data of Spiro[3.5]nonan-1-one (C9H14O)
Identification of Spiro[3.5]nonan-1-one Chemical Compound
![2D chemical structure image of Spiro[3.5]nonan-1-one](http://static.molinstincts.com/compound_common/Spiro-3-5-nonan-1-one-2D-structure-CT1078954333.png)
| Chemical Formula | C9H14O |
|---|---|
| Molecular Weight | 138.20686 g/mol |
| IUPAC Name | spiro[3.5]nonan-1-one |
| SMILES String | O=C1CCC12CCCCC2 |
| InChI | InChI=1S/C9H14O/c10-8-4-7-9(8)5-2-1-3-6-9/h1-7H2 |
| InChIKey | VSVWEBBNJPKUNO-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[3.5]nonan-1-one molecule contains a total of 25 bond(s). There are 11 non-H bond(s), 1 multiple bond(s), 1 double bond(s), 1 four-membered ring(s), 1 six-membered ring(s), and 1 ketone(s) (aliphatic). Images of the chemical structure of Spiro[3.5]nonan-1-one are given below:
![3D chemical structure image of Spiro[3.5]nonan-1-one](http://static.molinstincts.com/compound_3d/Spiro-3-5-nonan-1-one-3D-structure-CT1078954333.png)
The 2D chemical structure image of Spiro[3.5]nonan-1-one is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Spiro[3.5]nonan-1-one 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[3.5]nonan-1-one 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[3.5]nonan-1-one. 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[3.5]nonan-1-one is provided here.
The Spiro[3.5]nonan-1-one 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[3.5]nonan-1-one 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[3.5]nonan-1-one 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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- CAS #: 64-17-5
- Formula: C2H5OH
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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 Spiro[3.5]nonan-1-one Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of Spiro[3.5]nonan-1-one
The SMILES string of Spiro[3.5]nonan-1-one is O=C1CCC12CCCCC2, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Spiro[3.5]nonan-1-one.
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Structure Data File (SDF/MOL File) of Spiro[3.5]nonan-1-one
The structure data file (SDF/MOL File) of Spiro[3.5]nonan-1-one is available for download in the SDF page of Spiro[3.5]nonan-1-one, which provides the information about the atoms, bonds, connectivity and coordinates of Spiro[3.5]nonan-1-one. The Spiro[3.5]nonan-1-one structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of Spiro[3.5]nonan-1-one
The molecular formula of Spiro[3.5]nonan-1-one is available in chemical formula page of Spiro[3.5]nonan-1-one, 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[3.5]nonan-1-one
The molecular weight of Spiro[3.5]nonan-1-one is available in molecular weight page of Spiro[3.5]nonan-1-one, 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[3.5]nonan-1-one
The Spiro[3.5]nonan-1-one 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[3.5]nonan-1-one including the various registry numbers, if available:
- F2167-4443
- spiro[3.5]nonan-3-one
- spiro[3.5]nonan-1-on
- 29800-45-1
Spiro[3.5]nonan-1-one Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of Spiro[3.5]nonan-1-one? |
|---|
| C9H14O |
| How many atoms and what are the elements included the Spiro[3.5]nonan-1-one molecule? |
| 24 atom(s) - 14 Hydrogen atom(s), 9 Carbon atom(s), and 1 Oxygen atom(s) |
| How many chemical bonds and what kind of bonds are included the Spiro[3.5]nonan-1-one structure? |
| 25 bond(s) - 11 non-H bond(s), 1 multiple bond(s), 1 double bond(s), 1 four-membered ring(s), 1 six-membered ring(s), and 1 ketone(s) (aliphatic) |
| What’s the Spiro[3.5]nonan-1-one’s molecular weight? |
| 138.20686 g/mol |
| What’s the SMILES code of Spiro[3.5]nonan-1-one? |
| O=C1CCC12CCCCC2 |
| What’s the InChI string of Spiro[3.5]nonan-1-one? |
| InChI=1S/C9H14O/c10-8-4-7-9(8)5-2-1-3-6-9/h1-7H2 |
| What’s the InChIKey code of Spiro[3.5]nonan-1-one? |
| VSVWEBBNJPKUNO-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).