SDF/Mol File of (R)-3-Phenylcyclopentanone (C11H12O)
Identification of (R)-3-Phenylcyclopentanone Chemical Compound
| Chemical Formula | C11H12O |
|---|---|
| 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 |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of (R)-3-Phenylcyclopentanone is available for download. Click the link below to start downloading.
Download structure data file (SDF/MOL File)
The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of (R)-3-Phenylcyclopentanone molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.
The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.
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- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying (R)-3-Phenylcyclopentanone Molecule
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Chemical structure of (R)-3-Phenylcyclopentanone
By visualizing the structure data file (SDF/MOL File) above, 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 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 masses of each constituent element multiplied by the number of atoms of that element.
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Chemical formula of (R)-3-Phenylcyclopentanone
The chemical formula of (R)-3-Phenylcyclopentanone is given in chemical formula page of (R)-3-Phenylcyclopentanone, 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 (R)-3-Phenylcyclopentanone
An alternative way of expressing structural information in text format 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 be named differently depending on the various situations of industrial applications. Other names (synonyms) of (R)-3-Phenylcyclopentanone including the registry numbers are listed 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 (R)-3-Phenylcyclopentanone formula? |
|---|
| C11H12O |
| How many atoms and what elements are included in the (R)-3-Phenylcyclopentanone molecule? |
| 24 atom(s) - 12 Hydrogen atom(s), 11 Carbon atom(s), and 1 Oxygen atom(s) |
| How many chemical bonds and what kind of bonds are 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 (R)-3-Phenylcyclopentanone’s molar mass? |
| 160.21238 g/mol |
| What’s the SMILES structure of (R)-3-Phenylcyclopentanone? |
| O=C1CCC(C1)c2ccccc2 |
| What’s the InChI code 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 format 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).