Chemical Structure Description
A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The HEXANE molecule contains a total of 19 bond(s). There are 5 non-H bond(s) and 3 rotatable bond(s). Images of the chemical structure of HEXANE are given below:
The 2D chemical structure image of HEXANE is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of HEXANE 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 HEXANE 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 HEXANE. 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 HEXANE is provided here.
The HEXANE 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 HEXANE 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 HEXANE 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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- Name: ethanol
- CAS #: 64-17-5
- Formula: C2H5OH
- Smiles: CCO
- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying HEXANE Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of HEXANE
The SMILES string of HEXANE is CCCCCC, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the HEXANE.
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Structure Data File (SDF/MOL File) of HEXANE
The structure data file (SDF/MOL File) of HEXANE is available for download in the SDF page of HEXANE, which provides the information about the atoms, bonds, connectivity and coordinates of HEXANE. The HEXANE structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of HEXANE
The molecular formula of HEXANE is available in chemical formula page of HEXANE, 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 HEXANE
The molecular weight of HEXANE is available in molecular weight page of HEXANE, 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 HEXANE
The HEXANE compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of HEXANE including the various registry numbers, if available:
- BBV-213146
- 8031-34-3
- Hexane, puriss., absolute, over molecular sieve (H2O <=0.01%), >=99.0% (GC)
- Hexane, commercial grade (52% n-hexane, 16% 3-methylpentane, 16% methylcyclopentane)
- Hexane, suitable for 300 per JIS, >=96.0%, for residue analysis
- Hexane, suitable for 1000 per JIS, >=96.0%, for residue analysis
- Hexane, puriss. p.a., ACS reagent, reag. Ph. Eur., >=99% (GC)
- Hexane, pharmaceutical secondary standard; traceable to USP
- Hexane, for residue analysis, suitable for 5000 per JIS
- Hexane, >=96.0%, suitable for residual phthalate analysis
- 680AF2EE-A7B6-479B-BFB3-0F5354069F72
- I14-112531
- Hexane, puriss. p.a., ACS reagent, >=99.0% (GC)
- Hexane, Vetec(TM) reagent grade, anhydrous, >=95%
- J-002443
- I14-7327
- A802211
- S0278
- Hexane, suitable for determination of dioxins
- N-HEXANE 95%, HPLC/SPECTRO GRADE
- Hexane, spectrophotometric grade, >=95%
- Hexane, for HPLC, >=97.0% (GC)
- CAS-110-54-3
- 68476-44-8
- Hexanes [UN1208] [Flammable liquid]
- Hexane, JIS special grade, >=96.0%
- N-HEXANE 99%, CERTIFIED GRADE
- Hexanes [UN1208] [Flammable liquid]
- RTR-002165
- Hexane, SAJ first grade, >=95.0%
- Hexane, UV HPLC spectroscopic, 97%
- Hexane, purum, >=98.0% (GC)
- Hexane, Laboratory Reagent, >=95%
- LMFA11000007
- Hexanes, mixture of isomers 500ml
- ANW-42062
- 7548AF
- Hexane, puriss., >=95% (GC)
- Hexane, ReagentPlus(R), >=99%
- n-Hexane GC, for residue analysis
- N-HEXANE 95%, ACS GRADE
- n-Hexane, Spectrophotometric Grade
- N-HEXANE 95%, GC GRADE
- LTBB002316
- Hexane, purification grade, 95%
- Hexane, for HPLC, >=99%
- 2DDG612ED8
- Hexane, p.a., 95.0%
- n-C6H14
- n-Hexane, Environmental grade
- n-Hexane, anhydrous 250ml
- Hexane, ACS reagent, 99%
- Hexane, AR, >=99%
- n-HEXANE 99%
- n-HEXANE 85%
- Hexane, p.a., 95%
- Hexane, analytical standard
- UN 1208 (Related)
- Hexanes Reagent Grade ACS
- Exxsol Hexane (Salt/Mix)
- Epitope ID:116866
- BUTYL, 1-ETHYL-
- Hexane, anhydrous, 95%
- Hexane (Solvent Grade)
- n-Hexane, HPLC Grade
- Hexane, technical grade
- Hexane Fraction, purum
- n-Hexane HPLC grade
- n-Hexane, anhydrous
- Hexane, p.a.
- Hexane (n-Hexane)
- Hexane, for HPLC
- hexan-2-yl
- 1-hexane
- Butane, ethyl-
- Hexane, HPLC Plus, for HPLC, GC, and residue analysis, >=95%
- Normal hexane
- hexyl group
- MFCD00009520
- normal-hexane
- Hexane, for HPLC, >=95%
- n-HEXANE, 95%
- CH3-[CH2]4-CH3
- 92112-69-1
- Hexane, branched and linear
- Hexanen [Dutch]
- Heksan [Polish]
- Esani [Italian]
- n-Hexan
- Hexanes
- Hexanen
- Heksan
- Dipropyl
- hexan
- Skellysolve B
- Hexyl hydride
- Gettysolve-B
- Esani
- 110-54-3
- n-Hexane
HEXANE Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of HEXANE? |
|---|
| C6H14 |
| How many atoms and what are the elements included the HEXANE molecule? |
| 20 atom(s) - 14 Hydrogen atom(s) and 6 Carbon atom(s) |
| How many chemical bonds and what kind of bonds are included the HEXANE structure? |
| 19 bond(s) - 5 non-H bond(s) and 3 rotatable bond(s) |
| What’s the HEXANE’s molecular weight? |
| 86.17536 g/mol |
| What’s the SMILES code of HEXANE? |
| CCCCCC |
| What’s the InChI string of HEXANE? |
| InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3 |
| What’s the InChIKey code of HEXANE? |
| VLKZOEOYAKHREP-UHFFFAOYSA-N |
8443 The contents of this page can freely be shared if cited as follows:
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).
