Molecular Weight of Ethyl trans-2-pentenoate (C7H12O2)
Identification of Ethyl trans-2-pentenoate Chemical Compound
Chemical Formula | C7H12O2 |
---|---|
Molecular Weight | 128.16898 g/mol |
IUPAC Name | ethyl (2E)-pent-2-enoate |
SMILES String | CCOC(=O)C=CCC |
InChI | InChI=1S/C7H12O2/c1-3-5-6-7(8)9-4-2/h5-6H,3-4H2,1-2H3/b6-5+ |
InChIKey | AGMKVZDPATUSMS-AATRIKPKSA-N |
Molecular Weight Description
The Ethyl trans-2-pentenoate molecule consists of 12 Hydrogen atom(s), 7 Carbon atom(s), and 2 Oxygen atom(s) - a total of 21 atom(s). The molecular weight of Ethyl trans-2-pentenoate is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 128.16898 · \frac{g}{mol} $$
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 Ethyl trans-2-pentenoate Molecule
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Structure Data File (SDF/MOL File) of Ethyl trans-2-pentenoate
The structure data file (SDF/MOL File) of Ethyl trans-2-pentenoate is available for download in the SDF page of Ethyl trans-2-pentenoate, which provides the information on atoms, bonds, connectivity and coordinates of Ethyl trans-2-pentenoate. The Ethyl trans-2-pentenoate 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 Ethyl trans-2-pentenoate
The molecular structure image of Ethyl trans-2-pentenoate is available in chemical structure page of Ethyl trans-2-pentenoate, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in Ethyl trans-2-pentenoate and the chemical bonds that hold the atoms together.
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Chemical formula of Ethyl trans-2-pentenoate
The molecular formula of Ethyl trans-2-pentenoate is given in chemical formula page of Ethyl trans-2-pentenoate, 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 Ethyl trans-2-pentenoate
In addition to the molecular weight information, the structural information of Ethyl trans-2-pentenoate in a textual expression is available via InChi. The full standard InChI of Ethyl trans-2-pentenoate is given below:
InChI=1S/C7H12O2/c1-3-5-6-7(8)9-4-2/h5-6H,3-4H2,1-2H3/b6-5+
It can provide a way to encode the molecular information of Ethyl trans-2-pentenoate 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 Ethyl trans-2-pentenoate is:
InChIKey=AGMKVZDPATUSMS-AATRIKPKSA-N
It may allow easier web searches for Ethyl trans-2-pentenoate. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the Ethyl trans-2-pentenoate as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Ethyl trans-2-pentenoate
There may be different names of the Ethyl trans-2-pentenoate compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
- (Z)-2-Pentenoic acid ethyl ester
- (E)-2-Pentenoic acid ethyl ester
- Ethyl trans-2-pentenoate
- Ethyl pent-2-en-1-oate
- Ethyl 2-pentenoate
- 2445-93-4
- 27805-84-1
- 24410-84-2
- pent-2-enoic acid ethyl ester
- (E)-pent-2-enoic acid ethyl ester
- ethyl pent-2-enoate
Ethyl trans-2-pentenoate Identification Summary Frequently Asked Questions (FAQs)
What’s the formula of Ethyl trans-2-pentenoate? |
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C7H12O2 |
How many atoms and what are the elements in the Ethyl trans-2-pentenoate molecule? |
21 atom(s) - 12 Hydrogen atom(s), 7 Carbon atom(s), and 2 Oxygen atom(s) |
How many chemical bonds and what types of bonds are in the Ethyl trans-2-pentenoate structure? |
20 bond(s) - 8 non-H bond(s), 2 multiple bond(s), 4 rotatable bond(s), 2 double bond(s), and 1 ester(s) (aliphatic) |
What’s the molar mass of Ethyl trans-2-pentenoate? |
128.16898 g/mol |
What’s the SMILES format of Ethyl trans-2-pentenoate? |
CCOC(=O)C=CCC |
What’s the InChI format of Ethyl trans-2-pentenoate? |
InChI=1S/C7H12O2/c1-3-5-6-7(8)9-4-2/h5-6H,3-4H2,1-2H3/b6-5+ |
What’s the InChIKey string of Ethyl trans-2-pentenoate? |
AGMKVZDPATUSMS-AATRIKPKSA-N |
169
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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).