Molecular Weight of Allyl methyl ether (C4H8O)
Identification of Allyl methyl ether Chemical Compound
Chemical Formula | C4H8O |
---|---|
Molecular Weight | 72.10572 g/mol |
IUPAC Name | 3-methoxyprop-1-ene |
SMILES String | COCC=C |
InChI | InChI=1S/C4H8O/c1-3-4-5-2/h3H,1,4H2,2H3 |
InChIKey | FASUFOTUSHAIHG-UHFFFAOYSA-N |
Molecular Weight Description
The Allyl methyl ether molecule consists of 8 Hydrogen atom(s), 4 Carbon atom(s), and 1 Oxygen atom(s) - a total of 13 atom(s). The molecular weight of Allyl methyl ether is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 72.10572 · \frac{g}{mol} $$
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 Allyl methyl ether Molecule
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Structure Data File (SDF/MOL File) of Allyl methyl ether
The structure data file (SDF/MOL File) of Allyl methyl ether is available for download in the SDF page of Allyl methyl ether, which provides the information on atoms, bonds, connectivity and coordinates of Allyl methyl ether. The Allyl methyl ether 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 Allyl methyl ether
The molecular structure image of Allyl methyl ether is available in chemical structure page of Allyl methyl ether, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in Allyl methyl ether and the chemical bonds that hold the atoms together.
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Chemical formula of Allyl methyl ether
The molecular formula of Allyl methyl ether is given in chemical formula page of Allyl methyl ether, 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 Allyl methyl ether
In addition to the molecular weight information, the structural information of Allyl methyl ether in a textual expression is available via InChi. The full standard InChI of Allyl methyl ether is given below:
InChI=1S/C4H8O/c1-3-4-5-2/h3H,1,4H2,2H3
It can provide a way to encode the molecular information of Allyl methyl ether 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 Allyl methyl ether is:
InChIKey=FASUFOTUSHAIHG-UHFFFAOYSA-N
It may allow easier web searches for Allyl methyl ether. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the Allyl methyl ether as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Allyl methyl ether
There may be different names of the Allyl methyl ether compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
- BBV-39685398
- I14-49984
- A833964
- ANW-34356
- Allyl methyl ether, 94% 10g
- trans-2-propenyl methyl ether
- Allyl methyl ether, 97%
- CH2=CHCH2OCH3
- Methyl 2-propenyl ether
- methyl-2-propenyl ether
- METHYLALLYL ETHER
- 1-Methoxy-2-propene
- 4-Oxapent-1-ene
- MFCD00008649
- Ether, allyl methyl
- Methyl allyl ether
- 3-Methoxypropene
- 1-Propene, 3-methoxy-
- 3-Methoxy-1-propene
- 627-40-7
- Allyl methyl ether
Allyl methyl ether Identification Summary Frequently Asked Questions (FAQs)
What’s the formula of Allyl methyl ether? |
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C4H8O |
How many atoms and what are the elements in the Allyl methyl ether molecule? |
13 atom(s) - 8 Hydrogen atom(s), 4 Carbon atom(s), and 1 Oxygen atom(s) |
How many chemical bonds and what types of bonds are in the Allyl methyl ether structure? |
12 bond(s) - 4 non-H bond(s), 1 multiple bond(s), 2 rotatable bond(s), 1 double bond(s), and 1 ether(s) (aliphatic) |
What’s the molar mass of Allyl methyl ether? |
72.10572 g/mol |
What’s the SMILES format of Allyl methyl ether? |
COCC=C |
What’s the InChI format of Allyl methyl ether? |
InChI=1S/C4H8O/c1-3-4-5-2/h3H,1,4H2,2H3 |
What’s the InChIKey string of Allyl methyl ether? |
FASUFOTUSHAIHG-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).