Molecular Weight of Cyclononacosane (C29H58)
Identification of Cyclononacosane Chemical Compound
| Chemical Formula | C29H58 |
|---|---|
| Molecular Weight | 406.77082 g/mol |
| IUPAC Name | cyclononacosane |
| SMILES String | C1CCCCCCCCCCCCCCCCCCCCCCCCCCCC1 |
| InChI | InChI=1S/C29H58/c1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1/h1-29H2 |
| InChIKey | ZVCGXXJOMWAPKC-UHFFFAOYSA-N |
Molecular Weight Description
The cyclononacosane molecule consists of 58 Hydrogen atom(s) and 29 Carbon atom(s) - a total of 87 atom(s). The molecular weight of cyclononacosane is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 406.77082 · \frac{g}{mol} $$
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.
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Additional Information for Identifying Cyclononacosane Molecule
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Structure Data File (SDF/MOL File) of cyclononacosane
The structure data file (SDF/MOL File) of cyclononacosane is available for download in the SDF page of cyclononacosane, which provides the information on atoms, bonds, connectivity and coordinates of cyclononacosane. The cyclononacosane 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 cyclononacosane
The molecular structure image of cyclononacosane is available in chemical structure page of cyclononacosane, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in cyclononacosane and the chemical bonds that hold the atoms together.
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Chemical formula of cyclononacosane
The molecular formula of cyclononacosane is given in chemical formula page of cyclononacosane, 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 cyclononacosane
In addition to the molecular weight information, the structural information of cyclononacosane in a textual expression is available via InChi. The full standard InChI of cyclononacosane is given below:
InChI=1S/C29H58/c1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1/h1-29H2
It can provide a way to encode the molecular information of cyclononacosane 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 cyclononacosane is:
InChIKey=ZVCGXXJOMWAPKC-UHFFFAOYSA-N
It may allow easier web searches for cyclononacosane. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the cyclononacosane as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of cyclononacosane
There may be different names of the cyclononacosane compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
None available.
Cyclononacosane Identification Summary Frequently Asked Questions (FAQs)
| What’s the formula of cyclononacosane? |
|---|
| C29H58 |
| How many atoms and what are the elements in the cyclononacosane molecule? |
| 87 atom(s) - 58 Hydrogen atom(s) and 29 Carbon atom(s) |
| How many chemical bonds and what types of bonds are in the cyclononacosane structure? |
| 87 bond(s) - 29 non-H bond(s) |
| What’s the molar mass of cyclononacosane? |
| 406.77082 g/mol |
| What’s the SMILES format of cyclononacosane? |
| C1CCCCCCCCCCCCCCCCCCCCCCCCCCCC1 |
| What’s the InChI format of cyclononacosane? |
| InChI=1S/C29H58/c1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1/h1-29H2 |
| What’s the InChIKey string of cyclononacosane? |
| ZVCGXXJOMWAPKC-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).