Home Molecular Weight This Compound
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| Chemical Formula | C6H13O3P |
|---|---|
| Molecular Weight | 164.139382 g/mol |
| IUPAC Name | hex-5-en-1-ylphosphonic acid |
| SMILES String | OP(O)(=O)CCCCC=C |
| InChI | InChI=1S/C6H13O3P/c1-2-3-4-5-6-10(7,8)9/h2H,1,3-6H2,(H2,7,8,9) |
| InChIKey | UKJWUDSZYJAQQU-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 hex-5-en-1-ylphosphonic acid molecule consists of 13 Hydrogen atom(s), 6 Carbon atom(s), 3 Oxygen atom(s), and 1 Phosphorous atom(s) - a total of 23 atom(s). The molecular weight of hex-5-en-1-ylphosphonic acid is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 164.139382 · \frac{g}{mol} $$
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 Hex-5-en-1-ylphosphonic acid Molecule
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Structure Data File (SDF/MOL File) of hex-5-en-1-ylphosphonic acid
The structure data file (SDF/MOL File) of hex-5-en-1-ylphosphonic acid is available for download in the SDF page of hex-5-en-1-ylphosphonic acid, which provides the information on atoms, bonds, connectivity and coordinates of hex-5-en-1-ylphosphonic acid. The hex-5-en-1-ylphosphonic acid 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 hex-5-en-1-ylphosphonic acid
The molecular structure image of hex-5-en-1-ylphosphonic acid is available in chemical structure page of hex-5-en-1-ylphosphonic acid, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in hex-5-en-1-ylphosphonic acid and the chemical bonds that hold the atoms together.
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Chemical formula of hex-5-en-1-ylphosphonic acid
The molecular formula of hex-5-en-1-ylphosphonic acid is given in chemical formula page of hex-5-en-1-ylphosphonic acid, 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 hex-5-en-1-ylphosphonic acid
In addition to the molecular weight information, the structural information of hex-5-en-1-ylphosphonic acid in a textual expression is available via InChi. The full standard InChI of hex-5-en-1-ylphosphonic acid is given below:
InChI=1S/C6H13O3P/c1-2-3-4-5-6-10(7,8)9/h2H,1,3-6H2,(H2,7,8,9)
It can provide a way to encode the molecular information of hex-5-en-1-ylphosphonic acid 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 hex-5-en-1-ylphosphonic acid is:
InChIKey=UKJWUDSZYJAQQU-UHFFFAOYSA-N
It may allow easier web searches for hex-5-en-1-ylphosphonic acid. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the hex-5-en-1-ylphosphonic acid as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of hex-5-en-1-ylphosphonic acid
There may be different names of the hex-5-en-1-ylphosphonic acid compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
None available.
Hex-5-en-1-ylphosphonic acid Identification Summary Frequently Asked Questions (FAQs)
| What’s the formula of hex-5-en-1-ylphosphonic acid? |
|---|
| C6H13O3P |
| How many atoms and what are the elements in the hex-5-en-1-ylphosphonic acid molecule? |
| 23 atom(s) - 13 Hydrogen atom(s), 6 Carbon atom(s), 3 Oxygen atom(s), and 1 Phosphorous atom(s) |
| How many chemical bonds and what types of bonds are in the hex-5-en-1-ylphosphonic acid structure? |
| 22 bond(s) - 9 non-H bond(s), 2 multiple bond(s), 5 rotatable bond(s), 2 double bond(s), 2 hydroxyl group(s), and 1 phosphonate(s) (thio-) |
| What’s the molar mass of hex-5-en-1-ylphosphonic acid? |
| 164.139382 g/mol |
| What’s the SMILES format of hex-5-en-1-ylphosphonic acid? |
| OP(O)(=O)CCCCC=C |
| What’s the InChI format of hex-5-en-1-ylphosphonic acid? |
| InChI=1S/C6H13O3P/c1-2-3-4-5-6-10(7,8)9/h2H,1,3-6H2,(H2,7,8,9) |
| What’s the InChIKey string of hex-5-en-1-ylphosphonic acid? |
| UKJWUDSZYJAQQU-UHFFFAOYSA-N |
