Formula of [R,(?)]-7-Methyl-1-nonyne (C10H18)
Identification of [R,(?)]-7-Methyl-1-nonyne Chemical Compound
![2D chemical structure image of [R,(?)]-7-Methyl-1-nonyne](http://static.molinstincts.com/compound_common/R-7-Methyl-1-nonyne-2D-structure-CT1000003694.png)
| Chemical Formula | C10H18 |
|---|---|
| Molecular Weight | 138.24992 g/mol |
| IUPAC Name | (7R)-7-methylnon-1-yne |
| SMILES String | CCC(C)CCCCC#C |
| InChI | InChI=1S/C10H18/c1-4-6-7-8-9-10(3)5-2/h1,10H,5-9H2,2-3H3/t10-/m1/s1 |
| InChIKey | ILTCNNWNFZMWTJ-SNVBAGLBSA-N |
Chemical Formula Description
The [R,(?)]-7-Methyl-1-nonyne molecule contains a total of 28 atom(s). There are 18 Hydrogen atom(s) and 10 Carbon atom(s). A chemical formula of [R,(?)]-7-Methyl-1-nonyne can therefore be written as:
C10H18
The chemical formula of [R,(?)]-7-Methyl-1-nonyne 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.
![3D chemical structure image of [R,(?)]-7-Methyl-1-nonyne](http://static.molinstincts.com/compound_3d/R-7-Methyl-1-nonyne-3D-structure-CT1000003694.png)
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Additional Information for Identifying [R,(?)]-7-Methyl-1-nonyne Molecule
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Structure Data File (SDF/MOL File) of [R,(?)]-7-Methyl-1-nonyne
The structure data file (SDF/MOL File) of [R,(?)]-7-Methyl-1-nonyne is available for download in the SDF page of [R,(?)]-7-Methyl-1-nonyne providing the information about the atoms, bonds, connectivity and coordinates of [R,(?)]-7-Methyl-1-nonyne, which is not completely available in the chemical formula representation. The [R,(?)]-7-Methyl-1-nonyne structure data file can be imported to most of the cheminformatics software for further analysis and visualization.
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Chemical structure of [R,(?)]-7-Methyl-1-nonyne
The chemical structure image of [R,(?)]-7-Methyl-1-nonyne is available in chemical structure page of [R,(?)]-7-Methyl-1-nonyne, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of [R,(?)]-7-Methyl-1-nonyne and the chemical bonds that hold the atoms together.
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Molecular weight of [R,(?)]-7-Methyl-1-nonyne
The molecular weight of [R,(?)]-7-Methyl-1-nonyne is available in molecular weight page of [R,(?)]-7-Methyl-1-nonyne, 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 [R,(?)]-7-Methyl-1-nonyne.
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InChI (IUPAC International Chemical Identifier) information of [R,(?)]-7-Methyl-1-nonyne
The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of [R,(?)]-7-Methyl-1-nonyne is:
InChI=1S/C10H18/c1-4-6-7-8-9-10(3)5-2/h1,10H,5-9H2,2-3H3/t10-/m1/s1
It can provide a standard way to encode the molecular information of [R,(?)]-7-Methyl-1-nonyne 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 [R,(?)]-7-Methyl-1-nonyne is:
InChIKey=ILTCNNWNFZMWTJ-SNVBAGLBSA-N
The InChIKey may allow easier web searches for [R,(?)]-7-Methyl-1-nonyne, but it needs to be linked to the full InChI to get back to the original structure of the [R,(?)]-7-Methyl-1-nonyne since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of [R,(?)]-7-Methyl-1-nonyne
The [R,(?)]-7-Methyl-1-nonyne compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of [R,(?)]-7-Methyl-1-nonyne including the registry numbers is given below, if available:
- [R,(?)]-7-Methyl-1-nonyne
[R,(?)]-7-Methyl-1-nonyne Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of [R,(?)]-7-Methyl-1-nonyne? |
|---|
| C10H18 |
| How many atoms and what are they in the [R,(?)]-7-Methyl-1-nonyne structure? |
| 28 atom(s) - 18 Hydrogen atom(s) and 10 Carbon atom(s) |
| How many chemical bonds and what are they in the [R,(?)]-7-Methyl-1-nonyne structure? |
| 27 bond(s) - 9 non-H bond(s), 1 multiple bond(s), 5 rotatable bond(s), and 1 triple bond(s) |
| What’s the molecular weight of [R,(?)]-7-Methyl-1-nonyne? |
| 138.24992 g/mol |
| What’s the SMILES string of [R,(?)]-7-Methyl-1-nonyne? |
| CCC(C)CCCCC#C |
| What’s the InChI of [R,(?)]-7-Methyl-1-nonyne? |
| InChI=1S/C10H18/c1-4-6-7-8-9-10(3)5-2/h1,10H,5-9H2,2-3H3/t10-/m1/s1 |
| What’s the InChIKey of [R,(?)]-7-Methyl-1-nonyne? |
| ILTCNNWNFZMWTJ-SNVBAGLBSA-N |
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commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).