Structure & Deep Data of Windaus Ketone (C19H32O)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Windaus Ketone molecule contains a total of 53 bond(s). There are 21 non-H bond(s), 2 multiple bond(s), 4 rotatable bond(s), 2 double bond(s), 1 five-membered ring(s), 1 six-membered ring(s), 1 nine-membered ring(s), and 1 ketone(s) (aliphatic). Images of the chemical structure of Windaus Ketone are given below:

The 2D chemical structure image of Windaus Ketone is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Windaus 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 Windaus 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 Windaus Ketone. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Windaus Ketone Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of Windaus Ketone

  The SMILES string of Windaus Ketone is CC(C)C(C)C=CC(C)C1CCC2C(=O)CCCC12C, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Windaus Ketone.

• Structure Data File (SDF/MOL File) of Windaus Ketone

  The structure data file (SDF/MOL File) of Windaus Ketone is available for download in the SDF page of Windaus Ketone, which provides the information about the atoms, bonds, connectivity and coordinates of Windaus Ketone. The Windaus Ketone structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of Windaus Ketone

  The molecular formula of Windaus Ketone is available in chemical formula page of Windaus Ketone, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of Windaus Ketone

  The molecular weight of Windaus Ketone is available in molecular weight page of Windaus 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.

• Other names (synonyms) or registry numbers of Windaus Ketone

  The Windaus 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 Windaus Ketone including the various registry numbers, if available:

  • (1R,3aR,7aR)-7a-methyl-1-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one

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Windaus Ketone Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Windaus Ketone?
C19H32O
How many atoms and what are the elements included the Windaus Ketone molecule?
52 atom(s) - 32 Hydrogen atom(s), 19 Carbon atom(s), and 1 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the Windaus Ketone structure?
53 bond(s) - 21 non-H bond(s), 2 multiple bond(s), 4 rotatable bond(s), 2 double bond(s), 1 five-membered ring(s), 1 six-membered ring(s), 1 nine-membered ring(s), and 1 ketone(s) (aliphatic)
What’s the Windaus Ketone’s molecular weight?
276.45678 g/mol
What’s the SMILES code of Windaus Ketone?
CC(C)C(C)C=CC(C)C1CCC2C(=O)CCCC12C
What’s the InChI string of Windaus Ketone?
InChI=1S/C19H32O/c1-13(2)14(3)8-9-15(4)16-10-11-17-18(20)7-6-12-19(16,17)5/h8-9,13-17H,6-7,10-12H2,1-5H3/b9-8+/t14-,15+,16+,17-,19+/m0/s1
What’s the InChIKey code of Windaus Ketone?
VJIOBQLKFJUZJB-IBOOZMTFSA-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).