SDF/Mol File 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 |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of cyclononacosane is available for download. Click the link below to start downloading.
Download structure data file (SDF/MOL File)
The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of cyclononacosane molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.
The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.
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Search Another SDF·MOL File
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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 Cyclononacosane Molecule
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Chemical structure of cyclononacosane
By visualizing the structure data file (SDF/MOL File) above, 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 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 masses of each constituent element multiplied by the number of atoms of that element.
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Chemical formula of cyclononacosane
The chemical 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
An alternative way of expressing structural information in text format 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 be named differently depending on the various situations of industrial applications. Other names (synonyms) of cyclononacosane including the registry numbers are listed below, if available:
None available.
Cyclononacosane Identification Summary Frequently Asked Questions (FAQs)
| What’s the cyclononacosane formula? |
|---|
| C29H58 |
| How many atoms and what elements are included in the cyclononacosane molecule? |
| 87 atom(s) - 58 Hydrogen atom(s) and 29 Carbon atom(s) |
| How many chemical bonds and what kind of bonds are in the cyclononacosane structure? |
| 87 bond(s) - 29 non-H bond(s) |
| What’s the cyclononacosane’s molar mass? |
| 406.77082 g/mol |
| What’s the SMILES structure of cyclononacosane? |
| C1CCCCCCCCCCCCCCCCCCCCCCCCCCCC1 |
| What’s the InChI code 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 format 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).