Structure of TETRATETRACONTANE (C44H90)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The TETRATETRACONTANE molecule contains a total of 133 bond(s) There are 43 non-H bond(s) and 41 rotatable bond(s).
Images of the chemical structure of TETRATETRACONTANE are given below:

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

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More Properties of TETRATETRACONTANE

For physicochemical, thermodynamic, and other property data & information, the followings are available from “ChemRTP”, a real-time chemical predictor based on an advanced QSPR:

• Absolute Entropy of Ideal Gas
• Acentric Factor
• Critical Compressibility Factor
• Critical Pressure
• Critical Temperature
• Critical Volume
• Enthalpy of Formation for Ideal Gas
• Liquid Molar Volume

• Enthalpy of Combustion
• Normal Boiling Point
• Melting Point
• Refractive Index
• Solubility Parameter
• Standard State Absolute Entropy
• Standard State Enthalpy of Formation
• Magnetic Susceptibility

• Polarizability
• Flash Point
• Parachor
• Lower Flammability Limit Temperature
• Lower Flammability Limit Volume Percent
• Upper Flammability Limit Temperature
• Upper Flammability Limit Volume Percent
• Liquid Density at Normal Boiling Point

• Heat of Vaporization at 298.15K
• Heat of Vaporization at Normal Boiling Point

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Additional Information for Identifying TETRATETRACONTANE Molecule

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

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

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

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

• Chemical formula of TETRATETRACONTANE

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

• Molecular weight of TETRATETRACONTANE

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

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

  • 1208B570-4CB6-48FD-9F3F-67129C995357
  • I14-19547
  • C-52526
  • Tetratetracontane, purum, >=95.0% (GC)
  • 7098-22-8
  • n-Tetratetracontane
  • MFCD00015268
  • ANW-35980
  • Tetratetracontane, 99%
  • Tetratetracontane, analytical standard

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TETRATETRACONTANE Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of TETRATETRACONTANE?
C44H90
How many atoms and what are the elements included the TETRATETRACONTANE molecule?
134 atom(s) - 90 Hydrogen atom(s) and 44 Carbon atom(s)
How many chemical bonds and what kind of bonds are included the TETRATETRACONTANE structure?
133 bond(s) - 43 non-H bond(s) and 41 rotatable bond(s)
What’s the TETRATETRACONTANE’s molecular weight?
619.1854 g/mol
What’s the SMILES code of TETRATETRACONTANE?
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
What’s the InChI string of TETRATETRACONTANE?
InChI=1S/C44H90/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-44H2,1-2H3
What’s the InChIKey code of TETRATETRACONTANE?
KMXFZRSJMDYPPG-UHFFFAOYSA-N

2064 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 SQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2022).