Formula 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 |
Chemical Formula Description
The Allyl methyl ether molecule contains a total of 13 atom(s). There are 8 Hydrogen atom(s), 4 Carbon atom(s), and 1 Oxygen atom(s). A chemical formula of Allyl methyl ether can therefore be written as:
C4H8O
The chemical formula of Allyl methyl ether 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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- 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 providing the information about the atoms, bonds, connectivity and coordinates of Allyl methyl ether, which is not completely available in the chemical formula representation. The Allyl methyl ether structure data file can be imported to most of the cheminformatics software for further analysis and visualization.
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Chemical structure of Allyl methyl ether
The chemical structure image of Allyl methyl ether is available in chemical structure page of Allyl methyl ether, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of Allyl methyl ether and the chemical bonds that hold the atoms together.
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Molecular weight of Allyl methyl ether
The molecular weight of Allyl methyl ether is available in molecular weight page of Allyl methyl ether, 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 Allyl methyl ether.
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InChI (IUPAC International Chemical Identifier) information of Allyl methyl ether
The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of Allyl methyl ether is:
InChI=1S/C4H8O/c1-3-4-5-2/h3H,1,4H2,2H3
It can provide a standard 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
The InChIKey may allow easier web searches for Allyl methyl ether, but it needs to be linked to the full InChI to get back to the original structure of the Allyl methyl ether since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Allyl methyl ether
The Allyl methyl ether compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of Allyl methyl ether including the registry numbers is given below, 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 chemical formula of Allyl methyl ether? |
|---|
| C4H8O |
| How many atoms and what are they in the Allyl methyl ether structure? |
| 13 atom(s) - 8 Hydrogen atom(s), 4 Carbon atom(s), and 1 Oxygen atom(s) |
| How many chemical bonds and what are they 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 molecular weight of Allyl methyl ether? |
| 72.10572 g/mol |
| What’s the SMILES string of Allyl methyl ether? |
| COCC=C |
| What’s the InChI of Allyl methyl ether? |
| InChI=1S/C4H8O/c1-3-4-5-2/h3H,1,4H2,2H3 |
| What’s the InChIKey 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).