Structure & Deep Data of 1-BUTENE (C4H8)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The 1-BUTENE molecule contains a total of 11 bond(s). There are 3 non-H bond(s), 1 multiple bond(s), 1 rotatable bond(s), and 1 double bond(s). Images of the chemical structure of 1-BUTENE are given below:

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

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Additional Information for Identifying 1-BUTENE Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of 1-BUTENE

  The SMILES string of 1-BUTENE is CCC=C, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 1-BUTENE.

• Structure Data File (SDF/MOL File) of 1-BUTENE

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

• Chemical formula of 1-BUTENE

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

• Molecular weight of 1-BUTENE

  The molecular weight of 1-BUTENE is available in molecular weight page of 1-BUTENE, 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 1-BUTENE

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

  • C-00001
  • BBV-39138052
  • AR-1C2090
  • 54366-07-3
  • 33004-02-3
  • 25038-50-0
  • 197852-64-5
  • 1735-75-7
  • 172345-47-0
  • Butene, polymer-bound, 50-100 mesh, extent of labeling: 1.0-2.0 mmol vinyl per g loading

  • 3B1-008896
  • I14-17824
  • B4411
  • B4410
  • B0689
  • 9003-28-5
  • 61788-35-0
  • Butylene [UN1012] [Flammable gas]
  • RTR-001369
  • Butylene [UN1012] [Flammable gas]

  • 1-Butene, >=99.0% (GC)
  • MFCD00009383
  • LY001N554L
  • 1-Butene, >=99.6%
  • Butene, homopolymer, phosphosulfurized, steam treated
  • 1-Butene, >=99%
  • 1-Butene-4-ylidyneradical
  • Butene, polymer-bound
  • Poly-alpha-butylene
  • but-3-ene

  • Actipol E6
  • .alpha.-Butylene
  • Poly(1-butene)
  • butan-1,2-diyl
  • Butene, homopolymer, phosphosulfurized
  • 25167-67-3
  • 1-C4H8
  • 1-n-Butene
  • .alpha.-Butene
  • 1-Butene, homopolymer

  • Butene, 1-
  • n-Butene
  • n-Butylene
  • Butene-1
  • alpha-Butene
  • alpha-Butylene
  • 106-98-9
  • 1-Butylene
  • BUTENE
  • Ethylethylene

  • 1-BUTENE

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1-BUTENE Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 1-BUTENE?
C4H8
How many atoms and what are the elements included the 1-BUTENE molecule?
12 atom(s) - 8 Hydrogen atom(s) and 4 Carbon atom(s)
How many chemical bonds and what kind of bonds are included the 1-BUTENE structure?
11 bond(s) - 3 non-H bond(s), 1 multiple bond(s), 1 rotatable bond(s), and 1 double bond(s)
What’s the 1-BUTENE’s molecular weight?
56.10632 g/mol
What’s the SMILES code of 1-BUTENE?
CCC=C
What’s the InChI string of 1-BUTENE?
InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3
What’s the InChIKey code of 1-BUTENE?
VXNZUUAINFGPBY-UHFFFAOYSA-N

12918 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).