Structure & Deep Data of HEPTADECANE (C17H36)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The HEPTADECANE molecule contains a total of 52 bond(s). There are 16 non-H bond(s) and 14 rotatable bond(s). Images of the chemical structure of HEPTADECANE are given below:

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

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Additional Information for Identifying HEPTADECANE Molecule

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

  The SMILES string of HEPTADECANE is CCCCCCCCCCCCCCCCC, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the HEPTADECANE.

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

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

• Chemical formula of HEPTADECANE

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

• Molecular weight of HEPTADECANE

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

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

  • 43B472DE-3A6B-4855-8457-9D679B0D1C87
  • I14-57459
  • I14-19384
  • C-28208
  • S0289
  • M762
  • CAS-629-78-7
  • TRA-0205485
  • Heptadecane, purum, >=98.0% (GC)
  • RTR-021679

  • LMFA11000003
  • ANW-42115
  • LTBB002875
  • CH3-[CH2]15-CH3
  • ARONIS020486
  • n-Heptadecane, 99% 25g
  • n-HEPTADECANE, 99%
  • Heptadecane, 99%
  • C17H36
  • Hexadecane, methyl-

  • Normal-heptadecane
  • Heptadekan
  • Heptadecane, analytical standard
  • MFCD00009002
  • H7C0J39XUM
  • 629-78-7
  • n-Heptadecane

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HEPTADECANE Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of HEPTADECANE?
C17H36
How many atoms and what are the elements included the HEPTADECANE molecule?
53 atom(s) - 36 Hydrogen atom(s) and 17 Carbon atom(s)
How many chemical bonds and what kind of bonds are included the HEPTADECANE structure?
52 bond(s) - 16 non-H bond(s) and 14 rotatable bond(s)
What’s the HEPTADECANE’s molecular weight?
240.46774 g/mol
What’s the SMILES code of HEPTADECANE?
CCCCCCCCCCCCCCCCC
What’s the InChI string of HEPTADECANE?
InChI=1S/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3
What’s the InChIKey code of HEPTADECANE?
NDJKXXJCMXVBJW-UHFFFAOYSA-N

3515 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).