Molecular Weight 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 |
Molecular Weight Description
The Isobutyl iodide molecule consists of 9 Hydrogen atom(s), 4 Carbon atom(s), and 1 Iodine atom(s) - a total of 14 atom(s). The molecular weight of Isobutyl iodide is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 184.01873 · \frac{g}{mol} $$
The exact term of the above molecular weight is “molar mass”, which is based on the atomic mass of each element. Molecular weight is actually an older term of “relative molar mass” or “molecular mass”, which is a dimensionless quantity equal to the molar mass divided by the molar mass constant defined by 1 g/mol.
Molecular masses are calculated from the standard atomic weights of each nuclide, while molar masses are calculated from the atomic mass of each element. The atomic mass takes into account the isotopic distribution of the element in a given sample.
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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, which provides the information on atoms, bonds, connectivity and coordinates of Isobutyl iodide. The Isobutyl iodide structure data file can be imported to most of the chemistry-related software, providing three-dimensional visualization and further analysis.
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Chemical structure of Isobutyl iodide
The molecular structure image of Isobutyl iodide is available in chemical structure page of Isobutyl iodide, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in Isobutyl iodide and the chemical bonds that hold the atoms together.
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Chemical formula of Isobutyl iodide
The molecular formula of Isobutyl iodide is given in chemical formula page of Isobutyl iodide, 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 Isobutyl iodide
In addition to the molecular weight information, the structural information of Isobutyl iodide in a textual expression is available via InChi. The full standard InChI of Isobutyl iodide is given below:
InChI=1S/C4H9I/c1-4(2)3-5/h4H,3H2,1-2H3
It can provide a 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
It may allow easier web searches for Isobutyl iodide. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the Isobutyl iodide as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Isobutyl iodide
There may be different names of the Isobutyl iodide compound depending on the various situations of industrial applications, which are given below including the registry numbers 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 formula of Isobutyl iodide? |
|---|
| C4H9I |
| How many atoms and what are the elements in the Isobutyl iodide molecule? |
| 14 atom(s) - 9 Hydrogen atom(s), 4 Carbon atom(s), and 1 Iodine atom(s) |
| How many chemical bonds and what types of bonds are in the Isobutyl iodide structure? |
| 13 bond(s) - 4 non-H bond(s) |
| What’s the molar mass of Isobutyl iodide? |
| 184.01873 g/mol |
| What’s the SMILES format of Isobutyl iodide? |
| CC(C)CI |
| What’s the InChI format of Isobutyl iodide? |
| InChI=1S/C4H9I/c1-4(2)3-5/h4H,3H2,1-2H3 |
| What’s the InChIKey string of Isobutyl iodide? |
| BTUGGGLMQBJCBN-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).