Molecular Weight of 1,5-PENTANEDIOL (C5H12O2)

Molecular Weight Description

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Additional Information for Identifying 1,5-PENTANEDIOL Molecule

• Structure Data File (SDF/MOL File) of 1,5-PENTANEDIOL

  The structure data file (SDF/MOL File) of 1,5-PENTANEDIOL is available for download in the SDF page of 1,5-PENTANEDIOL, which provides the information on atoms, bonds, connectivity and coordinates of 1,5-PENTANEDIOL. The 1,5-PENTANEDIOL structure data file can be imported to most of the chemistry-related software, providing three-dimensional visualization and further analysis.

• Chemical structure of 1,5-PENTANEDIOL

  The molecular structure image of 1,5-PENTANEDIOL is available in chemical structure page of 1,5-PENTANEDIOL, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in 1,5-PENTANEDIOL and the chemical bonds that hold the atoms together.

• Chemical formula of 1,5-PENTANEDIOL

  The molecular formula of 1,5-PENTANEDIOL is given in chemical formula page of 1,5-PENTANEDIOL, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

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• InChI (IUPAC International Chemical Identifier) information of 1,5-PENTANEDIOL

  In addition to the molecular weight information, the structural information of 1,5-PENTANEDIOL in a textual expression is available via InChi. The full standard InChI of 1,5-PENTANEDIOL is given below:

  InChI=1S/C5H12O2/c6-4-2-1-3-5-7/h6-7H,1-5H2

  It can provide a way to encode the molecular information of 1,5-PENTANEDIOL to facilitate the search for the compound information in databases and on the web.

  The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of 1,5-PENTANEDIOL is:

  InChIKey=ALQSHHUCVQOPAS-UHFFFAOYSA-N

  It may allow easier web searches for 1,5-PENTANEDIOL. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the 1,5-PENTANEDIOL as the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of 1,5-PENTANEDIOL

  There may be different names of the 1,5-PENTANEDIOL compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:

  • EN300-122591
  • BBV-33887147
  • F0001-0238
  • S14-1472
  • J-002554
  • A802337
  • 1,5-Pentanediol, Vetec(TM) reagent grade, 96%
  • H-1745
  • 1,5-Pentanediol, purum, >=97.0% (GC)
  • 1,5-Pentanediol, purum, >=95.0% (GC)

  • P0050
  • CAS-111-29-5
  • RTR-002243
  • MFCD00002978
  • ANW-16265
  • LTBB002825
  • 1,5-Pentanediol, 96%
  • 07UXZ0SCST
  • 1,5-pentamethyleneglycol
  • 1 pound not5-pentadiol

  • .omega.-Pentanediol
  • 1,5-pentane diol
  • pentan-1,5-diol
  • 1.5-pentanediol
  • Pentylene Gylcol
  • Pentane diol-1,5
  • .alpha.,.omega.-Pentanediol
  • 1,5-Pentandiol
  • 1,5 Pentanediol
  • alpha,omega-Pentanediol

  • 1,5-Pentamethylene glycol
  • 1,5-Pentylene glycol
  • Pentamethylene glycol
  • 1,5-Dihydroxypentane
  • Pentylene glycol
  • 111-29-5
  • 1,5-PENTANEDIOL

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1,5-PENTANEDIOL Identification Summary Frequently Asked Questions (FAQs)

What’s the formula of 1,5-PENTANEDIOL?
C5H12O2
How many atoms and what are the elements in the 1,5-PENTANEDIOL molecule?
19 atom(s) - 12 Hydrogen atom(s), 5 Carbon atom(s), and 2 Oxygen atom(s)
How many chemical bonds and what types of bonds are in the 1,5-PENTANEDIOL structure?
18 bond(s) - 6 non-H bond(s), 4 rotatable bond(s), 2 hydroxyl group(s), and 2 primary alcohol(s)
What’s the molar mass of 1,5-PENTANEDIOL?
104.14758 g/mol
What’s the SMILES format of 1,5-PENTANEDIOL?
OCCCCCO
What’s the InChI format of 1,5-PENTANEDIOL?
InChI=1S/C5H12O2/c6-4-2-1-3-5-7/h6-7H,1-5H2
What’s the InChIKey string of 1,5-PENTANEDIOL?
ALQSHHUCVQOPAS-UHFFFAOYSA-N

387 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).