Formula of Isobutyl iodide (C4H9I)
Identification of Isobutyl iodide Chemical Compound
| Chemical Formula | C4H9I |
|---|---|
| Molecular Weight | 184.01873 g/mol |
| IUPAC Name | 1-iodo-2-methylpropane |
| SMILES String | CC(C)CI |
| InChI | InChI=1S/C4H9I/c1-4(2)3-5/h4H,3H2,1-2H3 |
| InChIKey | BTUGGGLMQBJCBN-UHFFFAOYSA-N |
Chemical Formula Description
The Isobutyl iodide molecule contains a total of 14 atom(s). There are 9 Hydrogen atom(s), 4 Carbon atom(s), and 1 Iodine atom(s). A chemical formula of Isobutyl iodide can therefore be written as:
C4H9I
The chemical formula of Isobutyl iodide 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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- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Isobutyl iodide Molecule
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Structure Data File (SDF/MOL File) of Isobutyl iodide
The structure data file (SDF/MOL File) of Isobutyl iodide is available for download in the SDF page of Isobutyl iodide providing the information about the atoms, bonds, connectivity and coordinates of Isobutyl iodide, which is not completely available in the chemical formula representation. The Isobutyl iodide structure data file can be imported to most of the cheminformatics software for further analysis and visualization.
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Chemical structure of Isobutyl iodide
The chemical structure image of Isobutyl iodide is available in chemical structure page of Isobutyl iodide, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of Isobutyl iodide and the chemical bonds that hold the atoms together.
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Molecular weight of Isobutyl iodide
The molecular weight of Isobutyl iodide is available in molecular weight page of Isobutyl iodide, 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 Isobutyl iodide.
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InChI (IUPAC International Chemical Identifier) information of Isobutyl iodide
The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of Isobutyl iodide is:
InChI=1S/C4H9I/c1-4(2)3-5/h4H,3H2,1-2H3
It can provide a standard way to encode the molecular information of Isobutyl iodide 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 Isobutyl iodide is:
InChIKey=BTUGGGLMQBJCBN-UHFFFAOYSA-N
The InChIKey may allow easier web searches for Isobutyl iodide, but it needs to be linked to the full InChI to get back to the original structure of the Isobutyl iodide since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Isobutyl iodide
The Isobutyl iodide compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of Isobutyl iodide including the registry numbers is given below, if available:
- 1-Iodo-2-methylpropane, contains copper as stabilizer, 97%
- F2190-0185
- I14-17194
- J-802035
- A828543
- I0322
- RTR-018296
- 82IJ6B9708
- MFCD00001084
- ANW-42898
- PROPANE, 1-IODO-2-METHYL
- 1-iodanyl-2-methyl-propane
- Propane,1-iodo-2-methyl-
- 1-IODO-ISO-BUTANE
- 1-IODOMETHYLPROPANE
- 3-iodo-2-methylpropane
- BBV-42302688
- iso-C4H9I
- sJPHAVIKUP@
- Iodo-2-methylpropane
- 2-methyl-iodopropane
- 2-methylpropyliodide
- 1-iodoisobutane
- isobutyl iodine
- iodoisobutane
- 1-iodo-2-methyl-propane
- 1-iodo-2-methyl propane
- 1-Jod-2-methylpropan [Czech]
- iso-butyl iodide
- 1-Jod-2-methylpropan
- isobutyliodide
- Isobutyljodid [Czech]
- 2-Methylpropyl iodide
- Primary isobutyl iodide
- Isobutyljodid
- Propane, 1-iodo-2-methyl-
- 513-38-2
- Isobutyl iodide
Isobutyl iodide Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of Isobutyl iodide? |
|---|
| C4H9I |
| How many atoms and what are they in the Isobutyl iodide structure? |
| 14 atom(s) - 9 Hydrogen atom(s), 4 Carbon atom(s), and 1 Iodine atom(s) |
| How many chemical bonds and what are they in the Isobutyl iodide structure? |
| 13 bond(s) - 4 non-H bond(s) |
| What’s the molecular weight of Isobutyl iodide? |
| 184.01873 g/mol |
| What’s the SMILES string of Isobutyl iodide? |
| CC(C)CI |
| What’s the InChI of Isobutyl iodide? |
| InChI=1S/C4H9I/c1-4(2)3-5/h4H,3H2,1-2H3 |
| What’s the InChIKey of Isobutyl iodide? |
| BTUGGGLMQBJCBN-UHFFFAOYSA-N |
979
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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).