Structure & Deep Data of Trans-4-Methyl-1-nitro-1-pentene (C6H11NO2)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The trans-4-Methyl-1-nitro-1-pentene molecule contains a total of 19 bond(s). There are 8 non-H bond(s), 3 multiple bond(s), 3 rotatable bond(s), 3 double bond(s), and 1 nitro group(s) (aliphatic). Images of the chemical structure of trans-4-Methyl-1-nitro-1-pentene are given below:

The 2D chemical structure image of trans-4-Methyl-1-nitro-1-pentene is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of trans-4-Methyl-1-nitro-1-pentene 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 trans-4-Methyl-1-nitro-1-pentene 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 trans-4-Methyl-1-nitro-1-pentene. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Trans-4-Methyl-1-nitro-1-pentene Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of trans-4-Methyl-1-nitro-1-pentene

  The SMILES string of trans-4-Methyl-1-nitro-1-pentene is CC(C)CC=C[N+]([O-])=O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the trans-4-Methyl-1-nitro-1-pentene.

• Structure Data File (SDF/MOL File) of trans-4-Methyl-1-nitro-1-pentene

  The structure data file (SDF/MOL File) of trans-4-Methyl-1-nitro-1-pentene is available for download in the SDF page of trans-4-Methyl-1-nitro-1-pentene, which provides the information about the atoms, bonds, connectivity and coordinates of trans-4-Methyl-1-nitro-1-pentene. The trans-4-Methyl-1-nitro-1-pentene structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of trans-4-Methyl-1-nitro-1-pentene

  The molecular formula of trans-4-Methyl-1-nitro-1-pentene is available in chemical formula page of trans-4-Methyl-1-nitro-1-pentene, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of trans-4-Methyl-1-nitro-1-pentene

  The molecular weight of trans-4-Methyl-1-nitro-1-pentene is available in molecular weight page of trans-4-Methyl-1-nitro-1-pentene, 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 trans-4-Methyl-1-nitro-1-pentene

  The trans-4-Methyl-1-nitro-1-pentene compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of trans-4-Methyl-1-nitro-1-pentene including the various registry numbers, if available:

  • trans-4-methyl-1-nitro-pent-1-ene
  • (E)-1-Nitro-4-methyl-1-pentene
  • (E)-4-methyl-1-nitropent-1-ene
  • 1-Nitro-4-methyl-1-pentene
  • (E)-(2-nitrovinyl)isobutane
  • 34209-90-0
  • 1-Pentene, 4-methyl-1-nitro-, (E)-
  • trans-4-Methyl-1-nitro-1-pentene

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Trans-4-Methyl-1-nitro-1-pentene Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of trans-4-Methyl-1-nitro-1-pentene?
C6H11NO2
How many atoms and what are the elements included the trans-4-Methyl-1-nitro-1-pentene molecule?
20 atom(s) - 11 Hydrogen atom(s), 6 Carbon atom(s), 1 Nitrogen atom(s), and 2 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the trans-4-Methyl-1-nitro-1-pentene structure?
19 bond(s) - 8 non-H bond(s), 3 multiple bond(s), 3 rotatable bond(s), 3 double bond(s), and 1 nitro group(s) (aliphatic)
What’s the trans-4-Methyl-1-nitro-1-pentene’s molecular weight?
129.15704 g/mol
What’s the SMILES code of trans-4-Methyl-1-nitro-1-pentene?
CC(C)CC=C[N+]([O-])=O
What’s the InChI string of trans-4-Methyl-1-nitro-1-pentene?
InChI=1S/C6H11NO2/c1-6(2)4-3-5-7(8)9/h3,5-6H,4H2,1-2H3/b5-3+
What’s the InChIKey code of trans-4-Methyl-1-nitro-1-pentene?
CZWSUVQCPWIYID-HWKANZROSA-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).