Molecular Weight of Ethyl 2-octenoate (C10H18O2)
Identification of Ethyl 2-octenoate Chemical Compound
Chemical Formula | C10H18O2 |
---|---|
Molecular Weight | 170.24872 g/mol |
IUPAC Name | ethyl (2E)-oct-2-enoate |
SMILES String | CCCCCC=CC(=O)OCC |
InChI | InChI=1S/C10H18O2/c1-3-5-6-7-8-9-10(11)12-4-2/h8-9H,3-7H2,1-2H3/b9-8+ |
InChIKey | AISZSTYLOVXFII-CMDGGOBGSA-N |
Molecular Weight Description
The Ethyl 2-octenoate molecule consists of 18 Hydrogen atom(s), 10 Carbon atom(s), and 2 Oxygen atom(s) - a total of 30 atom(s). The molecular weight of Ethyl 2-octenoate is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 170.24872 · \frac{g}{mol} $$
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 2-octenoate Molecule
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Structure Data File (SDF/MOL File) of Ethyl 2-octenoate
The structure data file (SDF/MOL File) of Ethyl 2-octenoate is available for download in the SDF page of Ethyl 2-octenoate, which provides the information on atoms, bonds, connectivity and coordinates of Ethyl 2-octenoate. The Ethyl 2-octenoate 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 2-octenoate
The molecular structure image of Ethyl 2-octenoate is available in chemical structure page of Ethyl 2-octenoate, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in Ethyl 2-octenoate and the chemical bonds that hold the atoms together.
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Chemical formula of Ethyl 2-octenoate
The molecular formula of Ethyl 2-octenoate is given in chemical formula page of Ethyl 2-octenoate, 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 2-octenoate
In addition to the molecular weight information, the structural information of Ethyl 2-octenoate in a textual expression is available via InChi. The full standard InChI of Ethyl 2-octenoate is given below:
InChI=1S/C10H18O2/c1-3-5-6-7-8-9-10(11)12-4-2/h8-9H,3-7H2,1-2H3/b9-8+
It can provide a way to encode the molecular information of Ethyl 2-octenoate 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 2-octenoate is:
InChIKey=AISZSTYLOVXFII-CMDGGOBGSA-N
It may allow easier web searches for Ethyl 2-octenoate. 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 2-octenoate as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Ethyl 2-octenoate
There may be different names of the Ethyl 2-octenoate compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
- Ethyl (E)-oct-2-enoate
- FEMA No. 3643
- Ethyl 2-octenoate, trans-
- Ethyl 2-octenoate, (E)-
- Ethyl (E)-2-octenoate
- ETHYL (TRANS)-2-OCTENOATE
- 2-Octenoic acid, ethyl ester, (E)-
- Ethyl 2-octenoate
- 2-Octenoic acid, ethyl ester
- trans-2-Octenoic acid ethyl ester
- 2351-90-8
- 7367-82-0
- oct-2-enoic acid ethyl ester
- (E)-oct-2-enoic acid ethyl ester
- Ethyl oct-2-enoate
- Ethyl-trans-2-octenoate
Ethyl 2-octenoate Identification Summary Frequently Asked Questions (FAQs)
What’s the formula of Ethyl 2-octenoate? |
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C10H18O2 |
How many atoms and what are the elements in the Ethyl 2-octenoate molecule? |
30 atom(s) - 18 Hydrogen atom(s), 10 Carbon atom(s), and 2 Oxygen atom(s) |
How many chemical bonds and what types of bonds are in the Ethyl 2-octenoate structure? |
29 bond(s) - 11 non-H bond(s), 2 multiple bond(s), 7 rotatable bond(s), 2 double bond(s), and 1 ester(s) (aliphatic) |
What’s the molar mass of Ethyl 2-octenoate? |
170.24872 g/mol |
What’s the SMILES format of Ethyl 2-octenoate? |
CCCCCC=CC(=O)OCC |
What’s the InChI format of Ethyl 2-octenoate? |
InChI=1S/C10H18O2/c1-3-5-6-7-8-9-10(11)12-4-2/h8-9H,3-7H2,1-2H3/b9-8+ |
What’s the InChIKey string of Ethyl 2-octenoate? |
AISZSTYLOVXFII-CMDGGOBGSA-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).