Structure & Deep Data of Pentanoic acid, 3,4,4-trimethyl-, (S)- (C8H16O2)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Pentanoic acid, 3,4,4-trimethyl-, (S)- molecule contains a total of 25 bond(s). There are 9 non-H bond(s), 1 multiple bond(s), 3 rotatable bond(s), 1 double bond(s), 1 carboxylic acid(s) (aliphatic), and 1 hydroxyl group(s). Images of the chemical structure of Pentanoic acid, 3,4,4-trimethyl-, (S)- are given below:

The 2D chemical structure image of Pentanoic acid, 3,4,4-trimethyl-, (S)- is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Pentanoic acid, 3,4,4-trimethyl-, (S)- 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 Pentanoic acid, 3,4,4-trimethyl-, (S)- 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 Pentanoic acid, 3,4,4-trimethyl-, (S)-. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Pentanoic acid, 3,4,4-trimethyl-, (S)- Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of Pentanoic acid, 3,4,4-trimethyl-, (S)-

  The SMILES string of Pentanoic acid, 3,4,4-trimethyl-, (S)- is CC(CC(O)=O)C(C)(C)C, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Pentanoic acid, 3,4,4-trimethyl-, (S)-.

• Structure Data File (SDF/MOL File) of Pentanoic acid, 3,4,4-trimethyl-, (S)-

  The structure data file (SDF/MOL File) of Pentanoic acid, 3,4,4-trimethyl-, (S)- is available for download in the SDF page of Pentanoic acid, 3,4,4-trimethyl-, (S)-, which provides the information about the atoms, bonds, connectivity and coordinates of Pentanoic acid, 3,4,4-trimethyl-, (S)-. The Pentanoic acid, 3,4,4-trimethyl-, (S)- structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of Pentanoic acid, 3,4,4-trimethyl-, (S)-

  The molecular formula of Pentanoic acid, 3,4,4-trimethyl-, (S)- is available in chemical formula page of Pentanoic acid, 3,4,4-trimethyl-, (S)-, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of Pentanoic acid, 3,4,4-trimethyl-, (S)-

  The molecular weight of Pentanoic acid, 3,4,4-trimethyl-, (S)- is available in molecular weight page of Pentanoic acid, 3,4,4-trimethyl-, (S)-, 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 Pentanoic acid, 3,4,4-trimethyl-, (S)-

  The Pentanoic acid, 3,4,4-trimethyl-, (S)- compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Pentanoic acid, 3,4,4-trimethyl-, (S)- including the various registry numbers, if available:

  • 64043-89-6
  • Pentanoic acid, 3,4,4-trimethyl-, (S)-

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Pentanoic acid, 3,4,4-trimethyl-, (S)- Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Pentanoic acid, 3,4,4-trimethyl-, (S)-?
C8H16O2
How many atoms and what are the elements included the Pentanoic acid, 3,4,4-trimethyl-, (S)- molecule?
26 atom(s) - 16 Hydrogen atom(s), 8 Carbon atom(s), and 2 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the Pentanoic acid, 3,4,4-trimethyl-, (S)- structure?
25 bond(s) - 9 non-H bond(s), 1 multiple bond(s), 3 rotatable bond(s), 1 double bond(s), 1 carboxylic acid(s) (aliphatic), and 1 hydroxyl group(s)
What’s the Pentanoic acid, 3,4,4-trimethyl-, (S)-’s molecular weight?
144.21144 g/mol
What’s the SMILES code of Pentanoic acid, 3,4,4-trimethyl-, (S)-?
CC(CC(O)=O)C(C)(C)C
What’s the InChI string of Pentanoic acid, 3,4,4-trimethyl-, (S)-?
InChI=1S/C8H16O2/c1-6(5-7(9)10)8(2,3)4/h6H,5H2,1-4H3,(H,9,10)/t6-/m0/s1
What’s the InChIKey code of Pentanoic acid, 3,4,4-trimethyl-, (S)-?
WLBGHZBIFQNGCH-LURJTMIESA-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).