Formula of Allylcyclopentane (C8H14)
Identification of Allylcyclopentane Chemical Compound
| Chemical Formula | C8H14 |
|---|---|
| Molecular Weight | 110.19676 g/mol |
| IUPAC Name | prop-2-en-1-ylcyclopentane |
| SMILES String | C=CCC1CCCC1 |
| InChI | InChI=1S/C8H14/c1-2-5-8-6-3-4-7-8/h2,8H,1,3-7H2 |
| InChIKey | NHIDGVQVYHCGEK-UHFFFAOYSA-N |
Chemical Formula Description
The Allylcyclopentane molecule contains a total of 22 atom(s). There are 14 Hydrogen atom(s) and 8 Carbon atom(s). A chemical formula of Allylcyclopentane can therefore be written as:
C8H14
The chemical formula of Allylcyclopentane 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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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Allylcyclopentane Molecule
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Structure Data File (SDF/MOL File) of Allylcyclopentane
The structure data file (SDF/MOL File) of Allylcyclopentane is available for download in the SDF page of Allylcyclopentane providing the information about the atoms, bonds, connectivity and coordinates of Allylcyclopentane, which is not completely available in the chemical formula representation. The Allylcyclopentane structure data file can be imported to most of the cheminformatics software for further analysis and visualization.
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Chemical structure of Allylcyclopentane
The chemical structure image of Allylcyclopentane is available in chemical structure page of Allylcyclopentane, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of Allylcyclopentane and the chemical bonds that hold the atoms together.
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Molecular weight of Allylcyclopentane
The molecular weight of Allylcyclopentane is available in molecular weight page of Allylcyclopentane, 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 Allylcyclopentane.
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InChI (IUPAC International Chemical Identifier) information of Allylcyclopentane
The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of Allylcyclopentane is:
InChI=1S/C8H14/c1-2-5-8-6-3-4-7-8/h2,8H,1,3-7H2
It can provide a standard way to encode the molecular information of Allylcyclopentane 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 Allylcyclopentane is:
InChIKey=NHIDGVQVYHCGEK-UHFFFAOYSA-N
The InChIKey may allow easier web searches for Allylcyclopentane, but it needs to be linked to the full InChI to get back to the original structure of the Allylcyclopentane since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Allylcyclopentane
The Allylcyclopentane compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of Allylcyclopentane including the registry numbers is given below, if available:
- BBV-39687399
- AR-1H6822
- I14-60860
- MFCD00001390
- 2-propen-1-ylcyclopentane
- (2-Propenyl)cyclopentane
- Allylcyclopentane, 97%
- Prop-2-enylcyclopentane
- 3-cyclopentylprop-1-ene
- 1-Propene, 3-cyclopentyl-
- 2-Propenylcyclopentane
- Allyl cyclopentane
- Cyclopentane, 2-propenyl-
- 3-Cyclopentyl-1-propene
- Cyclopentane, allyl-
- 3524-75-2
- 3-Cyclopentylpropene
- Allylcyclopentane
Allylcyclopentane Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of Allylcyclopentane? |
|---|
| C8H14 |
| How many atoms and what are they in the Allylcyclopentane structure? |
| 22 atom(s) - 14 Hydrogen atom(s) and 8 Carbon atom(s) |
| How many chemical bonds and what are they in the Allylcyclopentane structure? |
| 22 bond(s) - 8 non-H bond(s), 1 multiple bond(s), 2 rotatable bond(s), 1 double bond(s), and 1 five-membered ring(s) |
| What’s the molecular weight of Allylcyclopentane? |
| 110.19676 g/mol |
| What’s the SMILES string of Allylcyclopentane? |
| C=CCC1CCCC1 |
| What’s the InChI of Allylcyclopentane? |
| InChI=1S/C8H14/c1-2-5-8-6-3-4-7-8/h2,8H,1,3-7H2 |
| What’s the InChIKey of Allylcyclopentane? |
| NHIDGVQVYHCGEK-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).