Molecular Weight 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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Molecular Weight Description
The TETRATETRACONTANE molecule consists of 90 Hydrogen atom(s) and 44 Carbon atom(s) - a total of 134 atom(s). The molecular weight of TETRATETRACONTANE is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 619.1854 · \frac{g}{mol} $$
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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Input example for Ethanol:
- 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, which provides the information on atoms, bonds, connectivity and coordinates of TETRATETRACONTANE. The TETRATETRACONTANE 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 TETRATETRACONTANE
The molecular structure image of TETRATETRACONTANE is available in chemical structure page of TETRATETRACONTANE, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in TETRATETRACONTANE and the chemical bonds that hold the atoms together.
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Chemical formula of TETRATETRACONTANE
The molecular formula of TETRATETRACONTANE is given in chemical formula page of TETRATETRACONTANE, 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 TETRATETRACONTANE
In addition to the molecular weight information, the structural information of TETRATETRACONTANE in a textual expression is available via InChi. The full standard InChI of TETRATETRACONTANE is given below:
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 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
It may allow easier web searches for TETRATETRACONTANE. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the TETRATETRACONTANE as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of TETRATETRACONTANE
There may be different names of the TETRATETRACONTANE compound depending on the various situations of industrial applications, which are given below including the registry numbers 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 formula of TETRATETRACONTANE? |
|---|
| C44H90 |
| How many atoms and what are the elements in the TETRATETRACONTANE molecule? |
| 134 atom(s) - 90 Hydrogen atom(s) and 44 Carbon atom(s) |
| How many chemical bonds and what types of bonds are in the TETRATETRACONTANE structure? |
| 133 bond(s) - 43 non-H bond(s) and 41 rotatable bond(s) |
| What’s the molar mass of TETRATETRACONTANE? |
| 619.1854 g/mol |
| What’s the SMILES format of TETRATETRACONTANE? |
| CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC |
| What’s the InChI format 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 string of TETRATETRACONTANE? |
| KMXFZRSJMDYPPG-UHFFFAOYSA-N |