Structure & Deep Data of Nafcaproic acid (C16H18O2)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Nafcaproic acid molecule contains a total of 37 bond(s). There are 19 non-H bond(s), 12 multiple bond(s), 4 rotatable bond(s), 1 double bond(s), 11 aromatic bond(s), 2 six-membered ring(s), 1 ten-membered ring(s), 1 carboxylic acid(s) (aliphatic), and 1 hydroxyl group(s). Images of the chemical structure of Nafcaproic acid are given below:

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

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Additional Information for Identifying Nafcaproic acid Molecule

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

  The SMILES string of Nafcaproic acid is CCC(CC)(C(O)=O)c1cccc2ccccc12, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Nafcaproic acid.

• Structure Data File (SDF/MOL File) of Nafcaproic acid

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

• Chemical formula of Nafcaproic acid

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

• Molecular weight of Nafcaproic acid

  The molecular weight of Nafcaproic acid is available in molecular weight page of Nafcaproic acid, 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 Nafcaproic acid

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

  • 2-ethyl-2-naphthalen-1-ylbutanoic acid
  • 0FI451I3D5
  • Acido alpha,alpha-dietil-1-naftilacetico
  • Nafcaproic acid [INN]
  • Acidum nafcaproicum
  • Acide nafcaproique
  • Acido nafcaproico
  • 1-NAPHTHALENEACETIC ACID, alpha,alpha-DIETHYL-
  • Acido alpha,alpha-dietil-1-naftilacetico [Italian]
  • alpha,alpha-Diethyl-1-naphthaleneacetic acid

  • alpha,alpha-Diethyl-1-naphthalinessigsaeure
  • DA 808
  • Ethyl 2-(1-naphtyl)buttersaeure
  • Acidum nafcaproicum [INN-Latin]
  • Acido nafcaproico [INN-Spanish]
  • Acide nafcaproique [INN-French]
  • 1085-91-2
  • Nafcapronsaeure
  • Nafcaproic acid

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Nafcaproic acid Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Nafcaproic acid?
C16H18O2
How many atoms and what are the elements included the Nafcaproic acid molecule?
36 atom(s) - 18 Hydrogen atom(s), 16 Carbon atom(s), and 2 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the Nafcaproic acid structure?
37 bond(s) - 19 non-H bond(s), 12 multiple bond(s), 4 rotatable bond(s), 1 double bond(s), 11 aromatic bond(s), 2 six-membered ring(s), 1 ten-membered ring(s), 1 carboxylic acid(s) (aliphatic), and 1 hydroxyl group(s)
What’s the Nafcaproic acid’s molecular weight?
242.31292 g/mol
What’s the SMILES code of Nafcaproic acid?
CCC(CC)(C(O)=O)c1cccc2ccccc12
What’s the InChI string of Nafcaproic acid?
InChI=1S/C16H18O2/c1-3-16(4-2,15(17)18)14-11-7-9-12-8-5-6-10-13(12)14/h5-11H,3-4H2,1-2H3,(H,17,18)
What’s the InChIKey code of Nafcaproic acid?
NONNPKGLUCHFEW-UHFFFAOYSA-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).