Formula of TETRATETRACONTANE (C44H90)
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| Chemical Formula | C44H90 |
|---|---|
| Molecular Weight | 619.1854 g/mol |
| IUPAC Name | tetratetracontane |
| SMILES String | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC |
| InChI | InChI=1S/C44H90/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-44H2,1-2H3 |
| InChIKey | KMXFZRSJMDYPPG-UHFFFAOYSA-N |
| Citation | CC-DPS (Chemical Compounds Deep Profiling Services; https://www.cc-dps.com) powered by 41 patented QSQN technology based on Quantum Chemistry, Statistical Thermodynamics, Quantitative Structure-Property Relationship (QSPR), and Neural Network. |
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Chemical Formula Description
The TETRATETRACONTANE molecule contains a total of 134 atom(s). There are 90 Hydrogen atom(s) and 44 Carbon atom(s). A chemical formula of TETRATETRACONTANE can therefore be written as:
C44H90
The chemical formula of TETRATETRACONTANE 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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- Name: ethanol
- CAS #: 64-17-5
- Formula: C2H5OH
- Smiles: CCO
- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
Additional Information for Identifying TETRATETRACONTANE Molecule
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Structure Data File (SDF/MOL File) of TETRATETRACONTANE
The structure data file (SDF/MOL File) of TETRATETRACONTANE is available for download in the SDF page of TETRATETRACONTANE providing the information about the atoms, bonds, connectivity and coordinates of TETRATETRACONTANE, which is not completely available in the chemical formula representation. The TETRATETRACONTANE structure data file can be imported to most of the cheminformatics software for further analysis and visualization.
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Chemical structure of TETRATETRACONTANE
The chemical structure image of TETRATETRACONTANE is available in chemical structure page of TETRATETRACONTANE, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of TETRATETRACONTANE and the chemical bonds that hold the atoms together.
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Molecular weight of TETRATETRACONTANE
The molecular weight of TETRATETRACONTANE is available in molecular weight page of TETRATETRACONTANE, 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 TETRATETRACONTANE.
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InChI (IUPAC International Chemical Identifier) information of TETRATETRACONTANE
The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of TETRATETRACONTANE is:
InChI=1S/C44H90/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-44H2,1-2H3
It can provide a standard way to encode the molecular information of TETRATETRACONTANE 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 TETRATETRACONTANE is:
InChIKey=KMXFZRSJMDYPPG-UHFFFAOYSA-N
The InChIKey may allow easier web searches for TETRATETRACONTANE, but it needs to be linked to the full InChI to get back to the original structure of the TETRATETRACONTANE since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of TETRATETRACONTANE
The TETRATETRACONTANE compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of TETRATETRACONTANE including the registry numbers is given below, if available:
- 1208B570-4CB6-48FD-9F3F-67129C995357
- I14-19547
- C-52526
- Tetratetracontane, purum, >=95.0% (GC)
- 7098-22-8
- n-Tetratetracontane
- MFCD00015268
- ANW-35980
- Tetratetracontane, 99%
- Tetratetracontane, analytical standard
TETRATETRACONTANE Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of TETRATETRACONTANE? |
|---|
| C44H90 |
| How many atoms and what are they in the TETRATETRACONTANE structure? |
| 134 atom(s) - 90 Hydrogen atom(s) and 44 Carbon atom(s) |
| How many chemical bonds and what are they in the TETRATETRACONTANE structure? |
| 133 bond(s) - 43 non-H bond(s) and 41 rotatable bond(s) |
| What’s the molecular weight of TETRATETRACONTANE? |
| 619.1854 g/mol |
| What’s the SMILES string of TETRATETRACONTANE? |
| CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC |
| What’s the InChI of TETRATETRACONTANE? |
| InChI=1S/C44H90/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-44H2,1-2H3 |
| What’s the InChIKey of TETRATETRACONTANE? |
| KMXFZRSJMDYPPG-UHFFFAOYSA-N |