Structure of (3S,7S)-1-(4-methylcyclohexyl)-8-[3-(3-methylcyclopentyl)cyclohexyl]-3-(propan-2-yl)octane-1,6,7-triol (C30H56O3)
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![2D chemical structure image of (3S,7S)-1-(4-methylcyclohexyl)-8-[3-(3-methylcyclopentyl)cyclohexyl]-3-(propan-2-yl)octane-1,6,7-triol](http://static.molinstincts.com/compound_common/3S-7S-1-4-methylcyclohexyl-8-3-3-methylcyclopentyl-cyclohexyl-3-propan-2D-structure-CT1099661960.png)
Chemical Formula | C30H56O3 |
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Molecular Weight | 464.76384 g/mol |
IUPAC Name | (3S,7S)-1-(4-methylcyclohexyl)-8-[3-(3-methylcyclopentyl)cyclohexyl]-3-(propan-2-yl)octane-1,6,7-triol |
SMILES String | CC(C)C(CCC(O)C(O)CC1CCCC(C1)C2CCC(C)C2)CC(O)C3CCC(C)CC3 |
InChI | InChI=1S/C30H56O3/c1-20(2)25(19-29(32)24-11-8-21(3)9-12-24)14-15-28(31)30(33)18-23-6-5-7-26(17-23)27-13-10-22(4)16-27/h20-33H,5-19H2,1-4H3/t21?,22?,23?,24?,25-,26?,27?,28?,29?,30-/m0/s1 |
InChIKey | AZUGQXGSVPYAPM-YHUKOZEGSA-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 (3S,7S)-1-(4-methylcyclohexyl)-8-[3-(3-methylcyclopentyl)cyclohexyl]-3-(propan-2-yl)octane-1,6,7-triol molecule contains a total of 91 bond(s). There are 35 non-H bond(s), 11 rotatable bond(s), 1 five-membered ring(s), 2 six-membered ring(s), 3 hydroxyl group(s), and 3 secondary alcohol(s). Images of the chemical structure of (3S,7S)-1-(4-methylcyclohexyl)-8-[3-(3-methylcyclopentyl)cyclohexyl]-3-(propan-2-yl)octane-1,6,7-triol are given below:
![2D chemical structure image of (3S,7S)-1-(4-methylcyclohexyl)-8-[3-(3-methylcyclopentyl)cyclohexyl]-3-(propan-2-yl)octane-1,6,7-triol](http://static.molinstincts.com/compound_common/3S-7S-1-4-methylcyclohexyl-8-3-3-methylcyclopentyl-cyclohexyl-3-propan-2D-structure-CT1099661960.png)
![3D chemical structure image of (3S,7S)-1-(4-methylcyclohexyl)-8-[3-(3-methylcyclopentyl)cyclohexyl]-3-(propan-2-yl)octane-1,6,7-triol](http://static.molinstincts.com/compound_3d/3S-7S-1-4-methylcyclohexyl-8-3-3-methylcyclopentyl-cyclohexyl-3-propan-3D-structure-CT1099661960.png)
The 2D chemical structure image of (3S,7S)-1-(4-methylcyclohexyl)-8-[3-(3-methylcyclopentyl)cyclohexyl]-3-(propan-2-yl)octane-1,6,7-triol is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of (3S,7S)-1-(4-methylcyclohexyl)-8-[3-(3-methylcyclopentyl)cyclohexyl]-3-(propan-2-yl)octane-1,6,7-triol 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 (3S,7S)-1-(4-methylcyclohexyl)-8-[3-(3-methylcyclopentyl)cyclohexyl]-3-(propan-2-yl)octane-1,6,7-triol 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 (3S,7S)-1-(4-methylcyclohexyl)-8-[3-(3-methylcyclopentyl)cyclohexyl]-3-(propan-2-yl)octane-1,6,7-triol. 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 (3S,7S)-1-(4-methylcyclohexyl)-8-[3-(3-methylcyclopentyl)cyclohexyl]-3-(propan-2-yl)octane-1,6,7-triol is provided here.
The (3S,7S)-1-(4-methylcyclohexyl)-8-[3-(3-methylcyclopentyl)cyclohexyl]-3-(propan-2-yl)octane-1,6,7-triol 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 (3S,7S)-1-(4-methylcyclohexyl)-8-[3-(3-methylcyclopentyl)cyclohexyl]-3-(propan-2-yl)octane-1,6,7-triol 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 (3S,7S)-1-(4-methylcyclohexyl)-8-[3-(3-methylcyclopentyl)cyclohexyl]-3-(propan-2-yl)octane-1,6,7-triol 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
Additional Information for Identifying (3S,7S)-1-(4-methylcyclohexyl)-8-[3-(3-methylcyclopentyl)cyclohexyl]-3-(propan-2-yl)octane-1,6,7-triol Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of (3S,7S)-1-(4-methylcyclohexyl)-8-[3-(3-methylcyclopentyl)cyclohexyl]-3-(propan-2-yl)octane-1,6,7-triol
The SMILES string of (3S,7S)-1-(4-methylcyclohexyl)-8-[3-(3-methylcyclopentyl)cyclohexyl]-3-(propan-2-yl)octane-1,6,7-triol is CC(C)C(CCC(O)C(O)CC1CCCC(C1)C2CCC(C)C2)CC(O)C3CCC(C)CC3, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the (3S,7S)-1-(4-methylcyclohexyl)-8-[3-(3-methylcyclopentyl)cyclohexyl]-3-(propan-2-yl)octane-1,6,7-triol.
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Structure Data File (SDF/MOL File) of (3S,7S)-1-(4-methylcyclohexyl)-8-[3-(3-methylcyclopentyl)cyclohexyl]-3-(propan-2-yl)octane-1,6,7-triol
The structure data file (SDF/MOL File) of (3S,7S)-1-(4-methylcyclohexyl)-8-[3-(3-methylcyclopentyl)cyclohexyl]-3-(propan-2-yl)octane-1,6,7-triol is available for download in the SDF page of (3S,7S)-1-(4-methylcyclohexyl)-8-[3-(3-methylcyclopentyl)cyclohexyl]-3-(propan-2-yl)octane-1,6,7-triol, which provides the information about the atoms, bonds, connectivity and coordinates of (3S,7S)-1-(4-methylcyclohexyl)-8-[3-(3-methylcyclopentyl)cyclohexyl]-3-(propan-2-yl)octane-1,6,7-triol. The (3S,7S)-1-(4-methylcyclohexyl)-8-[3-(3-methylcyclopentyl)cyclohexyl]-3-(propan-2-yl)octane-1,6,7-triol structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of (3S,7S)-1-(4-methylcyclohexyl)-8-[3-(3-methylcyclopentyl)cyclohexyl]-3-(propan-2-yl)octane-1,6,7-triol
The molecular formula of (3S,7S)-1-(4-methylcyclohexyl)-8-[3-(3-methylcyclopentyl)cyclohexyl]-3-(propan-2-yl)octane-1,6,7-triol is available in chemical formula page of (3S,7S)-1-(4-methylcyclohexyl)-8-[3-(3-methylcyclopentyl)cyclohexyl]-3-(propan-2-yl)octane-1,6,7-triol, 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 (3S,7S)-1-(4-methylcyclohexyl)-8-[3-(3-methylcyclopentyl)cyclohexyl]-3-(propan-2-yl)octane-1,6,7-triol
The molecular weight of (3S,7S)-1-(4-methylcyclohexyl)-8-[3-(3-methylcyclopentyl)cyclohexyl]-3-(propan-2-yl)octane-1,6,7-triol is available in molecular weight page of (3S,7S)-1-(4-methylcyclohexyl)-8-[3-(3-methylcyclopentyl)cyclohexyl]-3-(propan-2-yl)octane-1,6,7-triol, 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 (3S,7S)-1-(4-methylcyclohexyl)-8-[3-(3-methylcyclopentyl)cyclohexyl]-3-(propan-2-yl)octane-1,6,7-triol
The (3S,7S)-1-(4-methylcyclohexyl)-8-[3-(3-methylcyclopentyl)cyclohexyl]-3-(propan-2-yl)octane-1,6,7-triol compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of (3S,7S)-1-(4-methylcyclohexyl)-8-[3-(3-methylcyclopentyl)cyclohexyl]-3-(propan-2-yl)octane-1,6,7-triol including the various registry numbers, if available:
None available.
(3S,7S)-1-(4-methylcyclohexyl)-8-[3-(3-methylcyclopentyl)cyclohexyl]-3-(propan-2-yl)octane-1,6,7-triol Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of (3S,7S)-1-(4-methylcyclohexyl)-8-[3-(3-methylcyclopentyl)cyclohexyl]-3-(propan-2-yl)octane-1,6,7-triol? |
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C30H56O3 |
How many atoms and what are the elements included the (3S,7S)-1-(4-methylcyclohexyl)-8-[3-(3-methylcyclopentyl)cyclohexyl]-3-(propan-2-yl)octane-1,6,7-triol molecule? |
89 atom(s) - 56 Hydrogen atom(s), 30 Carbon atom(s), and 3 Oxygen atom(s) |
How many chemical bonds and what kind of bonds are included the (3S,7S)-1-(4-methylcyclohexyl)-8-[3-(3-methylcyclopentyl)cyclohexyl]-3-(propan-2-yl)octane-1,6,7-triol structure? |
91 bond(s) - 35 non-H bond(s), 11 rotatable bond(s), 1 five-membered ring(s), 2 six-membered ring(s), 3 hydroxyl group(s), and 3 secondary alcohol(s) |
What’s the (3S,7S)-1-(4-methylcyclohexyl)-8-[3-(3-methylcyclopentyl)cyclohexyl]-3-(propan-2-yl)octane-1,6,7-triol’s molecular weight? |
464.76384 g/mol |
What’s the SMILES code of (3S,7S)-1-(4-methylcyclohexyl)-8-[3-(3-methylcyclopentyl)cyclohexyl]-3-(propan-2-yl)octane-1,6,7-triol? |
CC(C)C(CCC(O)C(O)CC1CCCC(C1)C2CCC(C)C2)CC(O)C3CCC(C)CC3 |
What’s the InChI string of (3S,7S)-1-(4-methylcyclohexyl)-8-[3-(3-methylcyclopentyl)cyclohexyl]-3-(propan-2-yl)octane-1,6,7-triol? |
InChI=1S/C30H56O3/c1-20(2)25(19-29(32)24-11-8-21(3)9-12-24)14-15-28(31)30(33)18-23-6-5-7-26(17-23)27-13-10-22(4)16-27/h20-33H,5-19H2,1-4H3/t21?,22?,23?,24?,25-,26?,27?,28?,29?,30-/m0/s1 |
What’s the InChIKey code of (3S,7S)-1-(4-methylcyclohexyl)-8-[3-(3-methylcyclopentyl)cyclohexyl]-3-(propan-2-yl)octane-1,6,7-triol? |
AZUGQXGSVPYAPM-YHUKOZEGSA-N |