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Structure of 3-(4-tert-Butoxyphenyl)butyric acid (C14H20O3)

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2D chemical structure image of 3-(4-tert-Butoxyphenyl)butyric acid
Chemical Formula C14H20O3
Molecular Weight 236.3068 g/mol
IUPAC Name 3-[4-(tert-butoxy)phenyl]butanoic acid
SMILES String CC(CC(O)=O)c1ccc(OC(C)(C)C)cc1
InChI InChI=1S/C14H20O3/c1-10(9-13(15)16)11-5-7-12(8-6-11)17-14(2,3)4/h5-8,10H,9H2,1-4H3,(H,15,16)
InChIKey MJRNBWCHZXWUCY-UHFFFAOYSA-N
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Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The 3-(4-tert-Butoxyphenyl)butyric acid molecule contains a total of 37 bond(s). There are 17 non-H bond(s), 7 multiple bond(s), 5 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 carboxylic acid(s) (aliphatic), 1 hydroxyl group(s), and 1 ether(s) (aromatic). Images of the chemical structure of 3-(4-tert-Butoxyphenyl)butyric acid are given below:

2D chemical structure image of 3-(4-tert-Butoxyphenyl)butyric acid
2-dimensional (2D) chemical structure image of 3-(4-tert-Butoxyphenyl)butyric acid
3D chemical structure image of 3-(4-tert-Butoxyphenyl)butyric acid
3-dimensional (3D) chemical structure image of 3-(4-tert-Butoxyphenyl)butyric acid

The 2D chemical structure image of 3-(4-tert-Butoxyphenyl)butyric acid is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 3-(4-tert-Butoxyphenyl)butyric acid 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 3-(4-tert-Butoxyphenyl)butyric acid 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 3-(4-tert-Butoxyphenyl)butyric acid. 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 3-(4-tert-Butoxyphenyl)butyric acid is provided here.

The 3-(4-tert-Butoxyphenyl)butyric acid 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 3-(4-tert-Butoxyphenyl)butyric acid 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 3-(4-tert-Butoxyphenyl)butyric acid 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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  • CAS #: 64-17-5
  • Formula: C2H5OH
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  • InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N

Additional Information for Identifying 3-(4-tert-Butoxyphenyl)butyric acid Molecule

  • Other names (synonyms) or registry numbers of 3-(4-tert-Butoxyphenyl)butyric acid

    The 3-(4-tert-Butoxyphenyl)butyric acid compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 3-(4-tert-Butoxyphenyl)butyric acid including the various registry numbers, if available:

    • 3-(4-(tert-Butoxy)phenyl)butanoic acid
    • 1804AF
    • 885266-61-5
    • 3-(4-tert-Butoxyphenyl)butyric acid

3-(4-tert-Butoxyphenyl)butyric acid Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 3-(4-tert-Butoxyphenyl)butyric acid?
C14H20O3
How many atoms and what are the elements included the 3-(4-tert-Butoxyphenyl)butyric acid molecule?
37 atom(s) - 20 Hydrogen atom(s), 14 Carbon atom(s), and 3 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the 3-(4-tert-Butoxyphenyl)butyric acid structure?
37 bond(s) - 17 non-H bond(s), 7 multiple bond(s), 5 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 carboxylic acid(s) (aliphatic), 1 hydroxyl group(s), and 1 ether(s) (aromatic)
What’s the 3-(4-tert-Butoxyphenyl)butyric acid’s molecular weight?
236.3068 g/mol
What’s the SMILES code of 3-(4-tert-Butoxyphenyl)butyric acid?
CC(CC(O)=O)c1ccc(OC(C)(C)C)cc1
What’s the InChI string of 3-(4-tert-Butoxyphenyl)butyric acid?
InChI=1S/C14H20O3/c1-10(9-13(15)16)11-5-7-12(8-6-11)17-14(2,3)4/h5-8,10H,9H2,1-4H3,(H,15,16)
What’s the InChIKey code of 3-(4-tert-Butoxyphenyl)butyric acid?
MJRNBWCHZXWUCY-UHFFFAOYSA-N