SDF/Mol File of (5-butylnonan-5-yl)cyclohexane (C19H38)
Identification of (5-butylnonan-5-yl)cyclohexane Chemical Compound
| Chemical Formula | C19H38 |
|---|---|
| Molecular Weight | 266.50502 g/mol |
| IUPAC Name | (5-butylnonan-5-yl)cyclohexane |
| SMILES String | CCCCC(CCCC)(CCCC)C1CCCCC1 |
| InChI | InChI=1S/C19H38/c1-4-7-15-19(16-8-5-2,17-9-6-3)18-13-11-10-12-14-18/h18H,4-17H2,1-3H3 |
| InChIKey | CRIGWJDKFCKYNR-UHFFFAOYSA-N |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of (5-butylnonan-5-yl)cyclohexane 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 (5-butylnonan-5-yl)cyclohexane 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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Additional Information for Identifying (5-butylnonan-5-yl)cyclohexane Molecule
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Chemical structure of (5-butylnonan-5-yl)cyclohexane
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of (5-butylnonan-5-yl)cyclohexane is available in chemical structure page of (5-butylnonan-5-yl)cyclohexane, 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 (5-butylnonan-5-yl)cyclohexane
The molecular weight of (5-butylnonan-5-yl)cyclohexane is available in molecular weight page of (5-butylnonan-5-yl)cyclohexane, 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 (5-butylnonan-5-yl)cyclohexane
The chemical formula of (5-butylnonan-5-yl)cyclohexane is given in chemical formula page of (5-butylnonan-5-yl)cyclohexane, 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 (5-butylnonan-5-yl)cyclohexane
An alternative way of expressing structural information in text format is InChI. The full standard InChI of (5-butylnonan-5-yl)cyclohexane is:
InChI=1S/C19H38/c1-4-7-15-19(16-8-5-2,17-9-6-3)18-13-11-10-12-14-18/h18H,4-17H2,1-3H3
It can provide a standard way to encode the molecular information of (5-butylnonan-5-yl)cyclohexane 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 (5-butylnonan-5-yl)cyclohexane is:
InChIKey=CRIGWJDKFCKYNR-UHFFFAOYSA-N
The InChIKey may allow easier web searches for (5-butylnonan-5-yl)cyclohexane, but it needs to be linked to the full InChI to get back to the original structure of the (5-butylnonan-5-yl)cyclohexane since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of (5-butylnonan-5-yl)cyclohexane
The (5-butylnonan-5-yl)cyclohexane compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of (5-butylnonan-5-yl)cyclohexane including the registry numbers are listed below, if available:
None available.
(5-butylnonan-5-yl)cyclohexane Identification Summary Frequently Asked Questions (FAQs)
| What’s the (5-butylnonan-5-yl)cyclohexane formula? |
|---|
| C19H38 |
| How many atoms and what elements are included in the (5-butylnonan-5-yl)cyclohexane molecule? |
| 57 atom(s) - 38 Hydrogen atom(s) and 19 Carbon atom(s) |
| How many chemical bonds and what kind of bonds are in the (5-butylnonan-5-yl)cyclohexane structure? |
| 57 bond(s) - 19 non-H bond(s), 10 rotatable bond(s), and 1 six-membered ring(s) |
| What’s the (5-butylnonan-5-yl)cyclohexane’s molar mass? |
| 266.50502 g/mol |
| What’s the SMILES structure of (5-butylnonan-5-yl)cyclohexane? |
| CCCCC(CCCC)(CCCC)C1CCCCC1 |
| What’s the InChI code of (5-butylnonan-5-yl)cyclohexane? |
| InChI=1S/C19H38/c1-4-7-15-19(16-8-5-2,17-9-6-3)18-13-11-10-12-14-18/h18H,4-17H2,1-3H3 |
| What’s the InChIKey format of (5-butylnonan-5-yl)cyclohexane? |
| CRIGWJDKFCKYNR-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).