SDF/Mol File of (3E)-5,5-diethyl-2,2-dimethylnon-3-ene (C15H30)
Identification of (3E)-5,5-diethyl-2,2-dimethylnon-3-ene Chemical Compound
| Chemical Formula | C15H30 |
|---|---|
| Molecular Weight | 210.3987 g/mol |
| IUPAC Name | (3E)-5,5-diethyl-2,2-dimethylnon-3-ene |
| SMILES String | CCCCC(CC)(CC)C=CC(C)(C)C |
| InChI | InChI=1S/C15H30/c1-7-10-11-15(8-2,9-3)13-12-14(4,5)6/h12-13H,7-11H2,1-6H3/b13-12+ |
| InChIKey | ARLUOEYNSMLACP-OUKQBFOZSA-N |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of (3E)-5,5-diethyl-2,2-dimethylnon-3-ene 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 (3E)-5,5-diethyl-2,2-dimethylnon-3-ene 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 (3E)-5,5-diethyl-2,2-dimethylnon-3-ene Molecule
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Chemical structure of (3E)-5,5-diethyl-2,2-dimethylnon-3-ene
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of (3E)-5,5-diethyl-2,2-dimethylnon-3-ene is available in chemical structure page of (3E)-5,5-diethyl-2,2-dimethylnon-3-ene, 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 (3E)-5,5-diethyl-2,2-dimethylnon-3-ene
The molecular weight of (3E)-5,5-diethyl-2,2-dimethylnon-3-ene is available in molecular weight page of (3E)-5,5-diethyl-2,2-dimethylnon-3-ene, 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 (3E)-5,5-diethyl-2,2-dimethylnon-3-ene
The chemical formula of (3E)-5,5-diethyl-2,2-dimethylnon-3-ene is given in chemical formula page of (3E)-5,5-diethyl-2,2-dimethylnon-3-ene, 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 (3E)-5,5-diethyl-2,2-dimethylnon-3-ene
An alternative way of expressing structural information in text format is InChI. The full standard InChI of (3E)-5,5-diethyl-2,2-dimethylnon-3-ene is:
InChI=1S/C15H30/c1-7-10-11-15(8-2,9-3)13-12-14(4,5)6/h12-13H,7-11H2,1-6H3/b13-12+
It can provide a standard way to encode the molecular information of (3E)-5,5-diethyl-2,2-dimethylnon-3-ene 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 (3E)-5,5-diethyl-2,2-dimethylnon-3-ene is:
InChIKey=ARLUOEYNSMLACP-OUKQBFOZSA-N
The InChIKey may allow easier web searches for (3E)-5,5-diethyl-2,2-dimethylnon-3-ene, but it needs to be linked to the full InChI to get back to the original structure of the (3E)-5,5-diethyl-2,2-dimethylnon-3-ene since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of (3E)-5,5-diethyl-2,2-dimethylnon-3-ene
The (3E)-5,5-diethyl-2,2-dimethylnon-3-ene compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of (3E)-5,5-diethyl-2,2-dimethylnon-3-ene including the registry numbers are listed below, if available:
None available.
(3E)-5,5-diethyl-2,2-dimethylnon-3-ene Identification Summary Frequently Asked Questions (FAQs)
| What’s the (3E)-5,5-diethyl-2,2-dimethylnon-3-ene formula? |
|---|
| C15H30 |
| How many atoms and what elements are included in the (3E)-5,5-diethyl-2,2-dimethylnon-3-ene molecule? |
| 45 atom(s) - 30 Hydrogen atom(s) and 15 Carbon atom(s) |
| How many chemical bonds and what kind of bonds are in the (3E)-5,5-diethyl-2,2-dimethylnon-3-ene structure? |
| 44 bond(s) - 14 non-H bond(s), 1 multiple bond(s), 7 rotatable bond(s), and 1 double bond(s) |
| What’s the (3E)-5,5-diethyl-2,2-dimethylnon-3-ene’s molar mass? |
| 210.3987 g/mol |
| What’s the SMILES structure of (3E)-5,5-diethyl-2,2-dimethylnon-3-ene? |
| CCCCC(CC)(CC)C=CC(C)(C)C |
| What’s the InChI code of (3E)-5,5-diethyl-2,2-dimethylnon-3-ene? |
| InChI=1S/C15H30/c1-7-10-11-15(8-2,9-3)13-12-14(4,5)6/h12-13H,7-11H2,1-6H3/b13-12+ |
| What’s the InChIKey format of (3E)-5,5-diethyl-2,2-dimethylnon-3-ene? |
| ARLUOEYNSMLACP-OUKQBFOZSA-N |
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commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).