Structure & Deep Data of 1-PENTENE (C5H10)

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-PENTENE molecule contains a total of 14 bond(s). There are 4 non-H bond(s), 1 multiple bond(s), 2 rotatable bond(s), and 1 double bond(s). Images of the chemical structure of 1-PENTENE are given below:

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

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Additional Information for Identifying 1-PENTENE Molecule

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

  The SMILES string of 1-PENTENE is CCCC=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-PENTENE.

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

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

• Chemical formula of 1-PENTENE

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

• Molecular weight of 1-PENTENE

  The molecular weight of 1-PENTENE is available in molecular weight page of 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 1-PENTENE

  The 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 1-PENTENE including the various registry numbers, if available:

  • BBV-39138086
  • AR-1L0044
  • 8029-09-2
  • 33004-03-4
  • PENTENE HYDROFORMYLATION PRODUCTS LOW-BOILING
  • I14-17852
  • J-002314
  • S0335
  • P0316
  • 1-Pentene [UN1108] [Flammable liquid]

  • n-amylene [UN1108] [Flammable liquid]
  • 1-Pentene [UN1108] [Flammable liquid]
  • n-amylene [UN1108] [Flammable liquid]
  • CAS-109-67-1
  • 68814-91-5
  • RTR-002073
  • 1-C5H10
  • 1-Pentene, >=98.5% (GC)
  • 7306AF
  • Steam cracked pentenes (petroleum)

  • 1-PENTENE, 99%
  • 1-Pentene, analytical standard
  • 1-Pentene, 97% 25g
  • ALP8M0LU81
  • 1-Pentene (In cylinders)
  • 1-Pentene, 98%
  • 1-Pentene 95
  • Pentene (petroleum)
  • alpha (C5-C9) olefins(petroleum)
  • Pentene-1

  • Alkenes, C5-9 alpha-
  • MFCD00003567
  • 25377-72-4
  • .alpha.-n-Amylene
  • 1-n-Pentene
  • 1-Pentylene
  • alpha-n-Amylene
  • alpha-Amylene
  • penten
  • Pentylene

  • Propylethylene
  • 109-67-1
  • PENTENE
  • 1-PENTENE

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1-PENTENE Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 1-PENTENE?
C5H10
How many atoms and what are the elements included the 1-PENTENE molecule?
15 atom(s) - 10 Hydrogen atom(s) and 5 Carbon atom(s)
How many chemical bonds and what kind of bonds are included the 1-PENTENE structure?
14 bond(s) - 4 non-H bond(s), 1 multiple bond(s), 2 rotatable bond(s), and 1 double bond(s)
What’s the 1-PENTENE’s molecular weight?
70.1329 g/mol
What’s the SMILES code of 1-PENTENE?
CCCC=C
What’s the InChI string of 1-PENTENE?
InChI=1S/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3
What’s the InChIKey code of 1-PENTENE?
YWAKXRMUMFPDSH-UHFFFAOYSA-N

14963 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).