Structure & Deep Data of Valerophenone (C11H14O)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Valerophenone molecule contains a total of 26 bond(s). There are 12 non-H bond(s), 7 multiple bond(s), 4 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), and 1 ketone(s) (aromatic). Images of the chemical structure of Valerophenone are given below:

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

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Additional Information for Identifying Valerophenone Molecule

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

  The SMILES string of Valerophenone is CCCCC(=O)c1ccccc1, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Valerophenone.

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

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

• Chemical formula of Valerophenone

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

• Molecular weight of Valerophenone

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

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

  • C-04136
  • EN300-21000
  • BBV-46884158
  • F0001-0049
  • W-108931
  • I01-7624
  • I01-6122
  • RTX-013205
  • ANW-14393
  • F27Q043NT1

  • Jsp000171
  • 1009-14-9 Valerophenone
  • 4-methyl butyrophenone
  • 1-Phenyl-1-pentanon
  • Valerophenone, 99%
  • butylphenylkcton
  • MFCD00009480
  • 1-phenyl-pentan-1-one
  • n-Butyl phenyl ketone
  • 1-Phenyl-1-pentanone

  • Pentanophenone
  • 1-Pentanone, 1-phenyl-
  • Butyl phenyl ketone
  • 1009-14-9
  • Valerophenone

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Valerophenone Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Valerophenone?
C11H14O
How many atoms and what are the elements included the Valerophenone molecule?
26 atom(s) - 14 Hydrogen atom(s), 11 Carbon atom(s), and 1 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the Valerophenone structure?
26 bond(s) - 12 non-H bond(s), 7 multiple bond(s), 4 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), and 1 ketone(s) (aromatic)
What’s the Valerophenone’s molecular weight?
162.22826 g/mol
What’s the SMILES code of Valerophenone?
CCCCC(=O)c1ccccc1
What’s the InChI string of Valerophenone?
InChI=1S/C11H14O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
What’s the InChIKey code of Valerophenone?
XKGLSKVNOSHTAD-UHFFFAOYSA-N

1535 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).