Molecular Weight of 2-Butenyl ethyl ether (C6H12O)
Identification of 2-Butenyl ethyl ether Chemical Compound
Chemical Formula | C6H12O |
---|---|
Molecular Weight | 100.15888 g/mol |
IUPAC Name | (2E)-1-ethoxybut-2-ene |
SMILES String | CCOCC=CC |
InChI | InChI=1S/C6H12O/c1-3-5-6-7-4-2/h3,5H,4,6H2,1-2H3/b5-3+ |
InChIKey | NDYRMWZHBBMBGD-HWKANZROSA-N |
Molecular Weight Description
The 2-Butenyl ethyl ether molecule consists of 12 Hydrogen atom(s), 6 Carbon atom(s), and 1 Oxygen atom(s) - a total of 19 atom(s). The molecular weight of 2-Butenyl ethyl 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:
$$ 100.15888 · \frac{g}{mol} $$
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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Additional Information for Identifying 2-Butenyl ethyl ether Molecule
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Structure Data File (SDF/MOL File) of 2-Butenyl ethyl ether
The structure data file (SDF/MOL File) of 2-Butenyl ethyl ether is available for download in the SDF page of 2-Butenyl ethyl ether, which provides the information on atoms, bonds, connectivity and coordinates of 2-Butenyl ethyl ether. The 2-Butenyl ethyl 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 2-Butenyl ethyl ether
The molecular structure image of 2-Butenyl ethyl ether is available in chemical structure page of 2-Butenyl ethyl ether, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in 2-Butenyl ethyl ether and the chemical bonds that hold the atoms together.
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Chemical formula of 2-Butenyl ethyl ether
The molecular formula of 2-Butenyl ethyl ether is given in chemical formula page of 2-Butenyl ethyl 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 2-Butenyl ethyl ether
In addition to the molecular weight information, the structural information of 2-Butenyl ethyl ether in a textual expression is available via InChi. The full standard InChI of 2-Butenyl ethyl ether is given below:
InChI=1S/C6H12O/c1-3-5-6-7-4-2/h3,5H,4,6H2,1-2H3/b5-3+
It can provide a way to encode the molecular information of 2-Butenyl ethyl 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 2-Butenyl ethyl ether is:
InChIKey=NDYRMWZHBBMBGD-HWKANZROSA-N
It may allow easier web searches for 2-Butenyl ethyl 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 2-Butenyl ethyl ether as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of 2-Butenyl ethyl ether
There may be different names of the 2-Butenyl ethyl ether compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
- 1476-06-8
- (E)-1-ethoxybut-2-ene
2-Butenyl ethyl ether Identification Summary Frequently Asked Questions (FAQs)
What’s the formula of 2-Butenyl ethyl ether? |
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C6H12O |
How many atoms and what are the elements in the 2-Butenyl ethyl ether molecule? |
19 atom(s) - 12 Hydrogen atom(s), 6 Carbon atom(s), and 1 Oxygen atom(s) |
How many chemical bonds and what types of bonds are in the 2-Butenyl ethyl ether structure? |
18 bond(s) - 6 non-H bond(s), 1 multiple bond(s), 3 rotatable bond(s), 1 double bond(s), and 1 ether(s) (aliphatic) |
What’s the molar mass of 2-Butenyl ethyl ether? |
100.15888 g/mol |
What’s the SMILES format of 2-Butenyl ethyl ether? |
CCOCC=CC |
What’s the InChI format of 2-Butenyl ethyl ether? |
InChI=1S/C6H12O/c1-3-5-6-7-4-2/h3,5H,4,6H2,1-2H3/b5-3+ |
What’s the InChIKey string of 2-Butenyl ethyl ether? |
NDYRMWZHBBMBGD-HWKANZROSA-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).