Molecular Weight 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 |
Molecular Weight Description
The Spiro[3.5]nonan-1-one molecule consists of 14 Hydrogen atom(s), 9 Carbon atom(s), and 1 Oxygen atom(s) - a total of 24 atom(s). The molecular weight of Spiro[3.5]nonan-1-one is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 138.20686 · \frac{g}{mol} $$
The exact term of the above molecular weight is “molar mass”, which is based on the atomic mass of each element. Molecular weight is actually an older term of “relative molar mass” or “molecular mass”, which is a dimensionless quantity equal to the molar mass divided by the molar mass constant defined by 1 g/mol.
Molecular masses are calculated from the standard atomic weights of each nuclide, while molar masses are calculated from the atomic mass of each element. The atomic mass takes into account the isotopic distribution of the element in a given sample.
![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)
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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Spiro[3.5]nonan-1-one Molecule
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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 on 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 chemistry-related software, providing three-dimensional visualization and further analysis.
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Chemical structure of Spiro[3.5]nonan-1-one
The molecular structure image of Spiro[3.5]nonan-1-one is available in chemical structure page of Spiro[3.5]nonan-1-one, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in Spiro[3.5]nonan-1-one and the chemical bonds that hold the atoms together.
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Chemical formula of Spiro[3.5]nonan-1-one
The molecular formula of Spiro[3.5]nonan-1-one is given 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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InChI (IUPAC International Chemical Identifier) information of Spiro[3.5]nonan-1-one
In addition to the molecular weight information, the structural information of Spiro[3.5]nonan-1-one in a textual expression is available via InChi. The full standard InChI of Spiro[3.5]nonan-1-one is given below:
InChI=1S/C9H14O/c10-8-4-7-9(8)5-2-1-3-6-9/h1-7H2
It can provide a way to encode the molecular information of Spiro[3.5]nonan-1-one to facilitate the search for the compound information in databases and on the web.
The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of Spiro[3.5]nonan-1-one is:
InChIKey=VSVWEBBNJPKUNO-UHFFFAOYSA-N
It may allow easier web searches for Spiro[3.5]nonan-1-one. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the Spiro[3.5]nonan-1-one as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Spiro[3.5]nonan-1-one
There may be different names of the Spiro[3.5]nonan-1-one compound depending on the various situations of industrial applications, which are given below including the 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 formula of Spiro[3.5]nonan-1-one? |
|---|
| C9H14O |
| How many atoms and what are the elements in 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 types of bonds are in 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 molar mass of Spiro[3.5]nonan-1-one? |
| 138.20686 g/mol |
| What’s the SMILES format of Spiro[3.5]nonan-1-one? |
| O=C1CCC12CCCCC2 |
| What’s the InChI format 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 string 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).