W (1R,2S,5R,6S,8R,12R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.0^{2,6}]dodecan-12-yl acetate Structure - C17H28O3 - Over 100 million chemical compounds | Mol-Instincts
Home Structure (1R,2S,5R,6S,8R,12R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.0^{2,6}]dodecan-12-yl acetate

Structure of (1R,2S,5R,6S,8R,12R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.0^{2,6}]dodecan-12-yl acetate (C17H28O3)

Identification of (1R,2S,5R,6S,8R,12R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.0^{2,6}]dodecan-12-yl acetate Chemical Compound

2D chemical structure image of (1R,2S,5R,6S,8R,12R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.0^{2,6}]dodecan-12-yl acetate
Chemical Formula C17H28O3
Molecular Weight 280.40242 g/mol
IUPAC Name (1R,2S,5R,6S,8R,12R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.0^{2,6}]dodecan-12-yl acetate
SMILES String CC1CCC2C1CC3C(CC2(C)OC3(C)C)OC(C)=O
InChI InChI=1S/C17H28O3/c1-10-6-7-13-12(10)8-14-15(19-11(2)18)9-17(13,5)20-16(14,3)4/h10,12-15H,6-9H2,1-5H3/t10-,12+,13+,14-,15-,17-/m1/s1
InChIKey CGBOQYJQRLRGIE-CKFRJKMOSA-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,2S,5R,6S,8R,12R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.0^{2,6}]dodecan-12-yl acetate molecule contains a total of 50 bond(s) There are 22 non-H bond(s), 1 multiple bond(s), 2 rotatable bond(s), 1 double bond(s), 1 five-membered ring(s), 1 six-membered ring(s), 2 seven-membered ring(s), 2 ten-membered ring(s), 1 ester(s) (aliphatic) and 1 ether(s) (aliphatic).
Images of the chemical structure of (1R,2S,5R,6S,8R,12R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.0^{2,6}]dodecan-12-yl acetate are given below:

2D chemical structure image of (1R,2S,5R,6S,8R,12R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.0^{2,6}]dodecan-12-yl acetate
2-dimensional (2D) chemical structure image of (1R,2S,5R,6S,8R,12R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.0^{2,6}]dodecan-12-yl acetate
3D chemical structure image of (1R,2S,5R,6S,8R,12R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.0^{2,6}]dodecan-12-yl acetate
3-dimensional (3D) chemical structure image of (1R,2S,5R,6S,8R,12R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.0^{2,6}]dodecan-12-yl acetate

The 2D chemical structure image of (1R,2S,5R,6S,8R,12R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.0^{2,6}]dodecan-12-yl acetate is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of (1R,2S,5R,6S,8R,12R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.0^{2,6}]dodecan-12-yl 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 (1R,2S,5R,6S,8R,12R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.0^{2,6}]dodecan-12-yl 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 (1R,2S,5R,6S,8R,12R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.0^{2,6}]dodecan-12-yl acetate.


An Interactive 3-dimensional (3D) Visualization of (1R,2S,5R,6S,8R,12R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.0^{2,6}]dodecan-12-yl acetate

For a better understanding of the chemical structure, an interactive 3D visualization of (1R,2S,5R,6S,8R,12R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.0^{2,6}]dodecan-12-yl acetate is provided here.

The (1R,2S,5R,6S,8R,12R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.0^{2,6}]dodecan-12-yl 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 (1R,2S,5R,6S,8R,12R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.0^{2,6}]dodecan-12-yl 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 (1R,2S,5R,6S,8R,12R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.0^{2,6}]dodecan-12-yl 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 a image file.





More Properties of (1R,2S,5R,6S,8R,12R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.0^{2,6}]dodecan-12-yl acetate

For physicochemical, thermodynamic, transport, spectra, and other property data & information, the followings are available from “Mol-Instincts”, a chemical database based on quantum mechanics:







Additional Information for Identifying (1R,2S,5R,6S,8R,12R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.0^{2,6}]dodecan-12-yl acetate Molecule

  • Other names (synonyms) or registry numbers of (1R,2S,5R,6S,8R,12R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.0^{2,6}]dodecan-12-yl acetate

    The (1R,2S,5R,6S,8R,12R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.0^{2,6}]dodecan-12-yl 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 (1R,2S,5R,6S,8R,12R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.0^{2,6}]dodecan-12-yl acetate including the various registry numbers, if available:



    None available.


Additional Outstanding Products

(1R,2S,5R,6S,8R,12R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.0^{2,6}]dodecan-12-yl acetate Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of (1R,2S,5R,6S,8R,12R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.0^{2,6}]dodecan-12-yl acetate?
C17H28O3
How many atoms and what are the elements included the (1R,2S,5R,6S,8R,12R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.0^{2,6}]dodecan-12-yl acetate molecule?
48 atom(s) - 28 Hydrogen atom(s), 17 Carbon atom(s) and 3 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the (1R,2S,5R,6S,8R,12R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.0^{2,6}]dodecan-12-yl acetate structure?
50 bond(s) - 22 non-H bond(s), 1 multiple bond(s), 2 rotatable bond(s), 1 double bond(s), 1 five-membered ring(s), 1 six-membered ring(s), 2 seven-membered ring(s), 2 ten-membered ring(s), 1 ester(s) (aliphatic) and 1 ether(s) (aliphatic)
What’s the (1R,2S,5R,6S,8R,12R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.0^{2,6}]dodecan-12-yl acetate’s molecular weight?
280.40242 g/mol
What’s the SMILES code of (1R,2S,5R,6S,8R,12R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.0^{2,6}]dodecan-12-yl acetate?
CC1CCC2C1CC3C(CC2(C)OC3(C)C)OC(C)=O
What’s the InChI string of (1R,2S,5R,6S,8R,12R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.0^{2,6}]dodecan-12-yl acetate?
InChI=1S/C17H28O3/c1-10-6-7-13-12(10)8-14-15(19-11(2)18)9-17(13,5)20-16(14,3)4/h10,12-15H,6-9H2,1-5H3/t10-,12+,13+,14-,15-,17-/m1/s1
What’s the InChIKey code of (1R,2S,5R,6S,8R,12R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.0^{2,6}]dodecan-12-yl acetate?
CGBOQYJQRLRGIE-CKFRJKMOSA-N

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