Formula of Cyclononacosane (C29H58)
Identification of Cyclononacosane Chemical Compound
Chemical Formula | C29H58 |
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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 |
Chemical Formula Description
The cyclononacosane molecule contains a total of 87 atom(s). There are 58 Hydrogen atom(s) and 29 Carbon atom(s). A chemical formula of cyclononacosane can therefore be written as:
C29H58
The chemical formula of cyclononacosane shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.
The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.
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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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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 providing the information about the atoms, bonds, connectivity and coordinates of cyclononacosane, which is not completely available in the chemical formula representation. The cyclononacosane structure data file can be imported to most of the cheminformatics software for further analysis and visualization.
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Chemical structure of cyclononacosane
The chemical structure image of cyclononacosane is available in chemical structure page of cyclononacosane, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of cyclononacosane and the chemical bonds that hold the atoms together.
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Molecular weight of cyclononacosane
The molecular weight of cyclononacosane is available in molecular weight page of cyclononacosane, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element specified in the chemical formula of cyclononacosane.
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InChI (IUPAC International Chemical Identifier) information of cyclononacosane
The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of cyclononacosane is:
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 standard 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
The InChIKey may allow easier web searches for cyclononacosane, but it needs to be linked to the full InChI to get back to the original structure of the cyclononacosane since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of cyclononacosane
The cyclononacosane compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of cyclononacosane including the registry numbers is given below, if available:
None available.
Cyclononacosane Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of cyclononacosane? |
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C29H58 |
How many atoms and what are they in the cyclononacosane structure? |
87 atom(s) - 58 Hydrogen atom(s) and 29 Carbon atom(s) |
How many chemical bonds and what are they in the cyclononacosane structure? |
87 bond(s) - 29 non-H bond(s) |
What’s the molecular weight of cyclononacosane? |
406.77082 g/mol |
What’s the SMILES string of cyclononacosane? |
C1CCCCCCCCCCCCCCCCCCCCCCCCCCCC1 |
What’s the InChI 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 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).