Molecular Weight of Tiglic aldehyde (C5H8O)
Identification of Tiglic aldehyde Chemical Compound
| Chemical Formula | C5H8O |
|---|---|
| Molecular Weight | 84.11642 g/mol |
| IUPAC Name | (2E)-2-methylbut-2-enal |
| SMILES String | CC=C(C)C=O |
| InChI | InChI=1S/C5H8O/c1-3-5(2)4-6/h3-4H,1-2H3/b5-3+ |
| InChIKey | ACWQBUSCFPJUPN-HWKANZROSA-N |
Molecular Weight Description
The Tiglic aldehyde molecule consists of 8 Hydrogen atom(s), 5 Carbon atom(s), and 1 Oxygen atom(s) - a total of 14 atom(s). The molecular weight of Tiglic aldehyde is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 84.11642 · \frac{g}{mol} $$
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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- Name: ethanol
- CAS #: 64-17-5
- Formula: C2H5OH
- Smiles: CCO
- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Tiglic aldehyde Molecule
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Structure Data File (SDF/MOL File) of Tiglic aldehyde
The structure data file (SDF/MOL File) of Tiglic aldehyde is available for download in the SDF page of Tiglic aldehyde, which provides the information on atoms, bonds, connectivity and coordinates of Tiglic aldehyde. The Tiglic aldehyde 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 Tiglic aldehyde
The molecular structure image of Tiglic aldehyde is available in chemical structure page of Tiglic aldehyde, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in Tiglic aldehyde and the chemical bonds that hold the atoms together.
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Chemical formula of Tiglic aldehyde
The molecular formula of Tiglic aldehyde is given in chemical formula page of Tiglic aldehyde, 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 Tiglic aldehyde
In addition to the molecular weight information, the structural information of Tiglic aldehyde in a textual expression is available via InChi. The full standard InChI of Tiglic aldehyde is given below:
InChI=1S/C5H8O/c1-3-5(2)4-6/h3-4H,1-2H3/b5-3+
It can provide a way to encode the molecular information of Tiglic aldehyde 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 Tiglic aldehyde is:
InChIKey=ACWQBUSCFPJUPN-HWKANZROSA-N
It may allow easier web searches for Tiglic aldehyde. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the Tiglic aldehyde as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Tiglic aldehyde
There may be different names of the Tiglic aldehyde compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
- Tigaldehyde, trans-
- Crotonaldehyde, 2-methyl-
- 2-Methylbut-2-en-1-al, (E)-
- 2-Methylcrotonaldehyde, (E)-
- 2-Methyl-2-butenal, trans-
- FEMA No. 3407
- Crotonaldehyde, 2-methyl-, (E)- (8CI)
- trans-Tiglaldehyde
- trans-2-Methyl-2-butenal
- Tiglic acid aldehyde
- Tiglaldehyde
- 2-Methyl-2-butenal, (E)-
- E-2-Methyl-2-butenal
- 2-Butenal, 2-methyl-, (E)-
- TIGLIC ALDEHYDE
- 2-METHYL-2-BUTENAL
- 2-Butenal,2-methyl-(Z)-
- 2-Butenal, 2-methyl-, (2E)-
- Crotonaldehyde, 2-methyl-, (E)-
- 2-Methylcrotonaldehyde
- 2-Butenal, 2-methyl-
- 2,3-Dimethylacrolein
- 2-Butenal,2-methyl-, (Z)-
- trans-2,3-Dimethylacrolein
- Tiglinaldehyde
- 497-03-0
- 6038-09-1
- 1115-11-3
- 2-methylbut-2-enal
Tiglic aldehyde Identification Summary Frequently Asked Questions (FAQs)
| What’s the formula of Tiglic aldehyde? |
|---|
| C5H8O |
| How many atoms and what are the elements in the Tiglic aldehyde molecule? |
| 14 atom(s) - 8 Hydrogen atom(s), 5 Carbon atom(s), and 1 Oxygen atom(s) |
| How many chemical bonds and what types of bonds are in the Tiglic aldehyde structure? |
| 13 bond(s) - 5 non-H bond(s), 2 multiple bond(s), 1 rotatable bond(s), 2 double bond(s), and 1 aldehyde(s) (aliphatic) |
| What’s the molar mass of Tiglic aldehyde? |
| 84.11642 g/mol |
| What’s the SMILES format of Tiglic aldehyde? |
| CC=C(C)C=O |
| What’s the InChI format of Tiglic aldehyde? |
| InChI=1S/C5H8O/c1-3-5(2)4-6/h3-4H,1-2H3/b5-3+ |
| What’s the InChIKey string of Tiglic aldehyde? |
| ACWQBUSCFPJUPN-HWKANZROSA-N |
481
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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).