Formula of (R)-3-Phenylcyclopentanone (C11H12O)
Identification of (R)-3-Phenylcyclopentanone Chemical Compound
Chemical Formula | C11H12O |
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Molecular Weight | 160.21238 g/mol |
IUPAC Name | (3R)-3-phenylcyclopentan-1-one |
SMILES String | O=C1CCC(C1)c2ccccc2 |
InChI | InChI=1S/C11H12O/c12-11-7-6-10(8-11)9-4-2-1-3-5-9/h1-5,10H,6-8H2/t10-/m1/s1 |
InChIKey | MFBXYJLOYZMFIN-SNVBAGLBSA-N |
Chemical Formula Description
The (R)-3-Phenylcyclopentanone molecule contains a total of 24 atom(s). There are 12 Hydrogen atom(s), 11 Carbon atom(s), and 1 Oxygen atom(s). A chemical formula of (R)-3-Phenylcyclopentanone can therefore be written as:
C11H12O
The chemical formula of (R)-3-Phenylcyclopentanone 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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Additional Information for Identifying (R)-3-Phenylcyclopentanone Molecule
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Structure Data File (SDF/MOL File) of (R)-3-Phenylcyclopentanone
The structure data file (SDF/MOL File) of (R)-3-Phenylcyclopentanone is available for download in the SDF page of (R)-3-Phenylcyclopentanone providing the information about the atoms, bonds, connectivity and coordinates of (R)-3-Phenylcyclopentanone, which is not completely available in the chemical formula representation. The (R)-3-Phenylcyclopentanone structure data file can be imported to most of the cheminformatics software for further analysis and visualization.
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Chemical structure of (R)-3-Phenylcyclopentanone
The chemical structure image of (R)-3-Phenylcyclopentanone is available in chemical structure page of (R)-3-Phenylcyclopentanone, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of (R)-3-Phenylcyclopentanone and the chemical bonds that hold the atoms together.
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Molecular weight of (R)-3-Phenylcyclopentanone
The molecular weight of (R)-3-Phenylcyclopentanone is available in molecular weight page of (R)-3-Phenylcyclopentanone, 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 (R)-3-Phenylcyclopentanone.
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InChI (IUPAC International Chemical Identifier) information of (R)-3-Phenylcyclopentanone
The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of (R)-3-Phenylcyclopentanone is:
InChI=1S/C11H12O/c12-11-7-6-10(8-11)9-4-2-1-3-5-9/h1-5,10H,6-8H2/t10-/m1/s1
It can provide a standard way to encode the molecular information of (R)-3-Phenylcyclopentanone 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 (R)-3-Phenylcyclopentanone is:
InChIKey=MFBXYJLOYZMFIN-SNVBAGLBSA-N
The InChIKey may allow easier web searches for (R)-3-Phenylcyclopentanone, but it needs to be linked to the full InChI to get back to the original structure of the (R)-3-Phenylcyclopentanone since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of (R)-3-Phenylcyclopentanone
The (R)-3-Phenylcyclopentanone compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of (R)-3-Phenylcyclopentanone including the registry numbers is given below, if available:
- P1504
- ANW-38326
- (R)-3alpha-Phenylcyclopentanone
- 86505-44-4
- (R)-3-Phenylcyclopentanone
(R)-3-Phenylcyclopentanone Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of (R)-3-Phenylcyclopentanone? |
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C11H12O |
How many atoms and what are they in the (R)-3-Phenylcyclopentanone structure? |
24 atom(s) - 12 Hydrogen atom(s), 11 Carbon atom(s), and 1 Oxygen atom(s) |
How many chemical bonds and what are they in the (R)-3-Phenylcyclopentanone structure? |
25 bond(s) - 13 non-H bond(s), 7 multiple bond(s), 1 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 five-membered ring(s), 1 six-membered ring(s), and 1 ketone(s) (aliphatic) |
What’s the molecular weight of (R)-3-Phenylcyclopentanone? |
160.21238 g/mol |
What’s the SMILES string of (R)-3-Phenylcyclopentanone? |
O=C1CCC(C1)c2ccccc2 |
What’s the InChI of (R)-3-Phenylcyclopentanone? |
InChI=1S/C11H12O/c12-11-7-6-10(8-11)9-4-2-1-3-5-9/h1-5,10H,6-8H2/t10-/m1/s1 |
What’s the InChIKey of (R)-3-Phenylcyclopentanone? |
MFBXYJLOYZMFIN-SNVBAGLBSA-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).