Structure & Deep Data of CYCLOBUTYL 2-(2,5-DIMETHYLPHENYL)ETHYL KETONE (C15H20O)
Identification of CYCLOBUTYL 2-(2,5-DIMETHYLPHENYL)ETHYL KETONE Chemical Compound
Chemical Formula | C15H20O |
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Molecular Weight | 216.3187 g/mol |
IUPAC Name | 1-cyclobutyl-3-(2,5-dimethylphenyl)propan-1-one |
SMILES String | Cc2ccc(C)c(CCC(=O)C1CCC1)c2 |
InChI | InChI=1S/C15H20O/c1-11-6-7-12(2)14(10-11)8-9-15(16)13-4-3-5-13/h6-7,10,13H,3-5,8-9H2,1-2H3 |
InChIKey | RVAOKXCSFXLSRK-UHFFFAOYSA-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 CYCLOBUTYL 2-(2,5-DIMETHYLPHENYL)ETHYL KETONE molecule contains a total of 37 bond(s). There are 17 non-H bond(s), 7 multiple bond(s), 4 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 four-membered ring(s), 1 six-membered ring(s), and 1 ketone(s) (aliphatic). Images of the chemical structure of CYCLOBUTYL 2-(2,5-DIMETHYLPHENYL)ETHYL KETONE are given below:
The 2D chemical structure image of CYCLOBUTYL 2-(2,5-DIMETHYLPHENYL)ETHYL KETONE is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of CYCLOBUTYL 2-(2,5-DIMETHYLPHENYL)ETHYL KETONE 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 CYCLOBUTYL 2-(2,5-DIMETHYLPHENYL)ETHYL KETONE 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 CYCLOBUTYL 2-(2,5-DIMETHYLPHENYL)ETHYL KETONE. Download structure data file (SDF/MOL) file of this compound.
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of CYCLOBUTYL 2-(2,5-DIMETHYLPHENYL)ETHYL KETONE is provided here.
The CYCLOBUTYL 2-(2,5-DIMETHYLPHENYL)ETHYL KETONE 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 CYCLOBUTYL 2-(2,5-DIMETHYLPHENYL)ETHYL KETONE 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 CYCLOBUTYL 2-(2,5-DIMETHYLPHENYL)ETHYL KETONE 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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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying CYCLOBUTYL 2-(2,5-DIMETHYLPHENYL)ETHYL KETONE Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of CYCLOBUTYL 2-(2,5-DIMETHYLPHENYL)ETHYL KETONE
The SMILES string of CYCLOBUTYL 2-(2,5-DIMETHYLPHENYL)ETHYL KETONE is Cc2ccc(C)c(CCC(=O)C1CCC1)c2, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the CYCLOBUTYL 2-(2,5-DIMETHYLPHENYL)ETHYL KETONE.
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Structure Data File (SDF/MOL File) of CYCLOBUTYL 2-(2,5-DIMETHYLPHENYL)ETHYL KETONE
The structure data file (SDF/MOL File) of CYCLOBUTYL 2-(2,5-DIMETHYLPHENYL)ETHYL KETONE is available for download in the SDF page of CYCLOBUTYL 2-(2,5-DIMETHYLPHENYL)ETHYL KETONE, which provides the information about the atoms, bonds, connectivity and coordinates of CYCLOBUTYL 2-(2,5-DIMETHYLPHENYL)ETHYL KETONE. The CYCLOBUTYL 2-(2,5-DIMETHYLPHENYL)ETHYL KETONE structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of CYCLOBUTYL 2-(2,5-DIMETHYLPHENYL)ETHYL KETONE
The molecular formula of CYCLOBUTYL 2-(2,5-DIMETHYLPHENYL)ETHYL KETONE is available in chemical formula page of CYCLOBUTYL 2-(2,5-DIMETHYLPHENYL)ETHYL KETONE, 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 CYCLOBUTYL 2-(2,5-DIMETHYLPHENYL)ETHYL KETONE
The molecular weight of CYCLOBUTYL 2-(2,5-DIMETHYLPHENYL)ETHYL KETONE is available in molecular weight page of CYCLOBUTYL 2-(2,5-DIMETHYLPHENYL)ETHYL KETONE, 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 CYCLOBUTYL 2-(2,5-DIMETHYLPHENYL)ETHYL KETONE
The CYCLOBUTYL 2-(2,5-DIMETHYLPHENYL)ETHYL KETONE compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of CYCLOBUTYL 2-(2,5-DIMETHYLPHENYL)ETHYL KETONE including the various registry numbers, if available:
- MFCD03843760
- 898754-18-2
- CYCLOBUTYL 2-(2,5-DIMETHYLPHENYL)ETHYL KETONE
CYCLOBUTYL 2-(2,5-DIMETHYLPHENYL)ETHYL KETONE Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of CYCLOBUTYL 2-(2,5-DIMETHYLPHENYL)ETHYL KETONE? |
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C15H20O |
How many atoms and what are the elements included the CYCLOBUTYL 2-(2,5-DIMETHYLPHENYL)ETHYL KETONE molecule? |
36 atom(s) - 20 Hydrogen atom(s), 15 Carbon atom(s), and 1 Oxygen atom(s) |
How many chemical bonds and what kind of bonds are included the CYCLOBUTYL 2-(2,5-DIMETHYLPHENYL)ETHYL KETONE structure? |
37 bond(s) - 17 non-H bond(s), 7 multiple bond(s), 4 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 four-membered ring(s), 1 six-membered ring(s), and 1 ketone(s) (aliphatic) |
What’s the CYCLOBUTYL 2-(2,5-DIMETHYLPHENYL)ETHYL KETONE’s molecular weight? |
216.3187 g/mol |
What’s the SMILES code of CYCLOBUTYL 2-(2,5-DIMETHYLPHENYL)ETHYL KETONE? |
Cc2ccc(C)c(CCC(=O)C1CCC1)c2 |
What’s the InChI string of CYCLOBUTYL 2-(2,5-DIMETHYLPHENYL)ETHYL KETONE? |
InChI=1S/C15H20O/c1-11-6-7-12(2)14(10-11)8-9-15(16)13-4-3-5-13/h6-7,10,13H,3-5,8-9H2,1-2H3 |
What’s the InChIKey code of CYCLOBUTYL 2-(2,5-DIMETHYLPHENYL)ETHYL KETONE? |
RVAOKXCSFXLSRK-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).