Structure & Deep Data of (1R,2R)-(+)-1-Phenylpropylene oxide (C9H10O)
Identification of (1R,2R)-(+)-1-Phenylpropylene oxide Chemical Compound
Chemical Formula | C9H10O |
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Molecular Weight | 134.1751 g/mol |
IUPAC Name | (2R,3R)-2-methyl-3-phenyloxirane |
SMILES String | CC1OC1c2ccccc2 |
InChI | InChI=1S/C9H10O/c1-7-9(10-7)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-,9+/m1/s1 |
InChIKey | YVCOJTATJWDGEU-APPZFPTMSA-N |
Chemical Structure Description
A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The (1R,2R)-(+)-1-Phenylpropylene oxide molecule contains a total of 21 bond(s). There are 11 non-H bond(s), 6 multiple bond(s), 1 rotatable bond(s), 6 aromatic bond(s), 1 three-membered ring(s), 1 six-membered ring(s), 1 ether(s) (aliphatic), and 1 Oxirane(s). Images of the chemical structure of (1R,2R)-(+)-1-Phenylpropylene oxide are given below:
The 2D chemical structure image of (1R,2R)-(+)-1-Phenylpropylene oxide is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of (1R,2R)-(+)-1-Phenylpropylene oxide are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.
The 3D chemical structure image of (1R,2R)-(+)-1-Phenylpropylene oxide is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of (1R,2R)-(+)-1-Phenylpropylene oxide. Download structure data file (SDF/MOL) file of this compound.
chemical table area
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of (1R,2R)-(+)-1-Phenylpropylene oxide is provided here.
The (1R,2R)-(+)-1-Phenylpropylene oxide molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the (1R,2R)-(+)-1-Phenylpropylene oxide molecule can be increased or decreased by scrolling the mouse wheel.
The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of (1R,2R)-(+)-1-Phenylpropylene oxide can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.
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Additional Information for Identifying (1R,2R)-(+)-1-Phenylpropylene oxide Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of (1R,2R)-(+)-1-Phenylpropylene oxide
The SMILES string of (1R,2R)-(+)-1-Phenylpropylene oxide is CC1OC1c2ccccc2, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the (1R,2R)-(+)-1-Phenylpropylene oxide.
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Structure Data File (SDF/MOL File) of (1R,2R)-(+)-1-Phenylpropylene oxide
The structure data file (SDF/MOL File) of (1R,2R)-(+)-1-Phenylpropylene oxide is available for download in the SDF page of (1R,2R)-(+)-1-Phenylpropylene oxide, which provides the information about the atoms, bonds, connectivity and coordinates of (1R,2R)-(+)-1-Phenylpropylene oxide. The (1R,2R)-(+)-1-Phenylpropylene oxide structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of (1R,2R)-(+)-1-Phenylpropylene oxide
The molecular formula of (1R,2R)-(+)-1-Phenylpropylene oxide is available in chemical formula page of (1R,2R)-(+)-1-Phenylpropylene oxide, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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Molecular weight of (1R,2R)-(+)-1-Phenylpropylene oxide
The molecular weight of (1R,2R)-(+)-1-Phenylpropylene oxide is available in molecular weight page of (1R,2R)-(+)-1-Phenylpropylene oxide, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.
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Other names (synonyms) or registry numbers of (1R,2R)-(+)-1-Phenylpropylene oxide
The (1R,2R)-(+)-1-Phenylpropylene oxide compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of (1R,2R)-(+)-1-Phenylpropylene oxide including the various registry numbers, if available:
- (2R,3R)-()-2-Methyl-3-phenyloxirane
- (1R,2R)-()-1-Phenylpropylene oxide
- (2R,3R)-2-methyl-3-phenyl-oxirane
(1R,2R)-(+)-1-Phenylpropylene oxide Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of (1R,2R)-(+)-1-Phenylpropylene oxide? |
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C9H10O |
How many atoms and what are the elements included the (1R,2R)-(+)-1-Phenylpropylene oxide molecule? |
20 atom(s) - 10 Hydrogen atom(s), 9 Carbon atom(s), and 1 Oxygen atom(s) |
How many chemical bonds and what kind of bonds are included the (1R,2R)-(+)-1-Phenylpropylene oxide structure? |
21 bond(s) - 11 non-H bond(s), 6 multiple bond(s), 1 rotatable bond(s), 6 aromatic bond(s), 1 three-membered ring(s), 1 six-membered ring(s), 1 ether(s) (aliphatic), and 1 Oxirane(s) |
What’s the (1R,2R)-(+)-1-Phenylpropylene oxide’s molecular weight? |
134.1751 g/mol |
What’s the SMILES code of (1R,2R)-(+)-1-Phenylpropylene oxide? |
CC1OC1c2ccccc2 |
What’s the InChI string of (1R,2R)-(+)-1-Phenylpropylene oxide? |
InChI=1S/C9H10O/c1-7-9(10-7)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-,9+/m1/s1 |
What’s the InChIKey code of (1R,2R)-(+)-1-Phenylpropylene oxide? |
YVCOJTATJWDGEU-APPZFPTMSA-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).