Hydroxyhexyl Structure - C6H11O - Over 100 Million Chemical ...

Home Structure This Compound search button Structure of Hydroxyhexyl (C6H11O)

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Chemical Formula	C6H11O
Molecular Weight	99.15094 g/mol
IUPAC Name	6-oxohexyl
SMILES String	[CH2]CCCCC=O
InChI	InChI=1S/C6H11O/c1-2-3-4-5-6-7/h6H,1-5H2
InChIKey	QEUHJZZUEFYTLK-UHFFFAOYSA-N
Citation	CC-DPS (Chemical Compounds Deep Profiling Services; https://www.cc-dps.com) powered by 41 patented QSQN technology based on Quantum Chemistry, Statistical Thermodynamics, Quantitative Structure-Property Relationship (QSPR), and Neural Network.

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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 hydroxyhexyl molecule contains a total of 17 bond(s). There are 6 non-H bond(s), 1 multiple bond(s), 4 rotatable bond(s), 1 double bond(s), and 1 aldehyde(s) (aliphatic). Images of the chemical structure of hydroxyhexyl are given below:

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

The hydroxyhexyl 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 hydroxyhexyl 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 hydroxyhexyl 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.

Search Another Chemical Structure

Enter another compound to search for chemical structure:

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Input a chemical compound consisting of C, H, N, O, S, F, Cl, Br, I, Si, P, and/or As atom(s)

Input example for Ethanol:

• Name: ethanol
• CAS #: 64-17-5
• Formula: C2H5OH
• Smiles: CCO

• InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
• InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N

Additional Information for Identifying Hydroxyhexyl Molecule

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

  The SMILES string of hydroxyhexyl is [CH2]CCCCC=O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the hydroxyhexyl.

• Structure Data File (SDF/MOL File) of hydroxyhexyl

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

• Chemical formula of hydroxyhexyl

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

• Molecular weight of hydroxyhexyl

  The molecular weight of hydroxyhexyl is available in molecular weight page of hydroxyhexyl, 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 hydroxyhexyl

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

  • 6-Oxohexylradical
  • hydroxyhexyl

Hydroxyhexyl Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of hydroxyhexyl?
C6H11O
How many atoms and what are the elements included the hydroxyhexyl molecule?
18 atom(s) - 11 Hydrogen atom(s), 6 Carbon atom(s), and 1 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the hydroxyhexyl structure?
17 bond(s) - 6 non-H bond(s), 1 multiple bond(s), 4 rotatable bond(s), 1 double bond(s), and 1 aldehyde(s) (aliphatic)
What’s the hydroxyhexyl’s molecular weight?
99.15094 g/mol
What’s the SMILES code of hydroxyhexyl?
[CH2]CCCCC=O
What’s the InChI string of hydroxyhexyl?
InChI=1S/C6H11O/c1-2-3-4-5-6-7/h6H,1-5H2
What’s the InChIKey code of hydroxyhexyl?
QEUHJZZUEFYTLK-UHFFFAOYSA-N

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