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Structure of Trans-.alpha.-Necrodyl acetate (C12H20O2)

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2D chemical structure image of trans-.alpha.-Necrodyl acetate
Chemical Formula C12H20O2
Molecular Weight 196.286 g/mol
IUPAC Name [(1S,4S)-3,4,5,5-tetramethylcyclopent-2-en-1-yl]methyl acetate
SMILES String CC1C(=CC(COC(C)=O)C1(C)C)C
InChI InChI=1S/C12H20O2/c1-8-6-11(7-14-10(3)13)12(4,5)9(8)2/h6,9,11H,7H2,1-5H3/t9-,11+/m0/s1
InChIKey LZTCNNXHQNNINB-GXSJLCMTSA-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 trans-.alpha.-Necrodyl acetate molecule contains a total of 34 bond(s). There are 14 non-H bond(s), 2 multiple bond(s), 3 rotatable bond(s), 2 double bond(s), 1 five-membered ring(s), and 1 ester(s) (aliphatic). Images of the chemical structure of trans-.alpha.-Necrodyl acetate are given below:

2D chemical structure image of trans-.alpha.-Necrodyl acetate
2-dimensional (2D) chemical structure image of trans-.alpha.-Necrodyl acetate
3D chemical structure image of trans-.alpha.-Necrodyl acetate
3-dimensional (3D) chemical structure image of trans-.alpha.-Necrodyl acetate

The 2D chemical structure image of trans-.alpha.-Necrodyl acetate is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of trans-.alpha.-Necrodyl acetate 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 trans-.alpha.-Necrodyl acetate 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 trans-.alpha.-Necrodyl acetate. 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 trans-.alpha.-Necrodyl acetate is provided here.

The trans-.alpha.-Necrodyl acetate 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 trans-.alpha.-Necrodyl acetate 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 trans-.alpha.-Necrodyl acetate 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
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Additional Information for Identifying Trans-.alpha.-Necrodyl acetate Molecule

  • Other names (synonyms) or registry numbers of trans-.alpha.-Necrodyl acetate

    The trans-.alpha.-Necrodyl acetate compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of trans-.alpha.-Necrodyl acetate including the various registry numbers, if available:

    • trans-.alpha.-Necrodyl acetate

Trans-.alpha.-Necrodyl acetate Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of trans-.alpha.-Necrodyl acetate?
C12H20O2
How many atoms and what are the elements included the trans-.alpha.-Necrodyl acetate molecule?
34 atom(s) - 20 Hydrogen atom(s), 12 Carbon atom(s), and 2 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the trans-.alpha.-Necrodyl acetate structure?
34 bond(s) - 14 non-H bond(s), 2 multiple bond(s), 3 rotatable bond(s), 2 double bond(s), 1 five-membered ring(s), and 1 ester(s) (aliphatic)
What’s the trans-.alpha.-Necrodyl acetate’s molecular weight?
196.286 g/mol
What’s the SMILES code of trans-.alpha.-Necrodyl acetate?
CC1C(=CC(COC(C)=O)C1(C)C)C
What’s the InChI string of trans-.alpha.-Necrodyl acetate?
InChI=1S/C12H20O2/c1-8-6-11(7-14-10(3)13)12(4,5)9(8)2/h6,9,11H,7H2,1-5H3/t9-,11+/m0/s1
What’s the InChIKey code of trans-.alpha.-Necrodyl acetate?
LZTCNNXHQNNINB-GXSJLCMTSA-N