Molecular Weight of PENTANE (C5H12)

Molecular Weight Description

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Additional Information for Identifying PENTANE Molecule

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

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

• Chemical structure of PENTANE

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

• Chemical formula of PENTANE

  The molecular formula of PENTANE is given in chemical formula page of PENTANE, 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 PENTANE

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

  InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3

  It can provide a way to encode the molecular information of PENTANE 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 PENTANE is:

  InChIKey=OFBQJSOFQDEBGM-UHFFFAOYSA-N

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

• Other names (synonyms) or registry numbers of PENTANE

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

  • BBV-34553266
  • AKS
  • 8031-35-4
  • Pentane, puriss., absolute, over molecular sieve (H2O <=0.005%), >=99.0% (GC)
  • Pentane, capillary GC grade, >=98% n-pentane basis, 99.9+% C5 isomers.
  • Pentane, United States Pharmacopeia (USP) Reference Standard
  • EB93985D-C6D5-4EC7-A089-73B41F8B4583
  • S14-1482
  • A802071
  • 300158X

  • PROPYL, 1-ETHYL-(6CI,7CI,8CI,9CI)
  • Pentane, Laboratory Reagent, >=95.0% (GC)
  • BUTYL, 1-METHYL-(6CI,7CI,8CI,9CI)
  • S0277
  • R-601
  • Pentane, puriss. p.a., >=99.0% (GC)
  • P0048
  • Pentane, spectrophotometric grade, >=99%
  • Pentanes [UN1265] [Flammable liquid]
  • 68647-60-9

  • Pentanes [UN1265] [Flammable liquid]
  • Pentane, SAJ special grade, >=99.0%
  • Pentane, SAJ first grade, >=96.0%
  • RTR-002072
  • Pentane, UV HPLC spectroscopic, 99%
  • Pentane, purum, >=95.0% (GC)
  • LMFA11000583
  • ANW-42047
  • Pentane, for HPLC, >=99.0%
  • n-Pentane, Spectrophotometric Grade

  • LTBB002315
  • 4FEX897A91
  • Pentane, >=99%, HPLC grade
  • CH3-[CH2]3-CH3
  • N-(Hex-5-Yn-1-Yl)hexanamide
  • Jsp000760
  • Pentane, reagent grade, 98%
  • Pentane, p.a., 99.5%
  • n-Pentane, 98% 250ml
  • Pentane, >=99% (GC)

  • n-C5H12
  • Pentane, anhydrous, >=99%
  • UN 1265 (Salt/Mix)
  • Pentane, LR, >=99%
  • Pentane, AR, >=99%
  • Pentane, purification grade
  • Pentane, p.a., 99%
  • Butane, methyl- (9CI)
  • n-Pentane, HPLC Grade
  • Pentane Fraction, purum

  • Pentane, HPLC Grade
  • 1l3,5l3-pentane
  • Pentane, p.a.
  • Hydrocarbons, C4
  • 1-ethylpropane
  • Pentane, pentene fraction
  • Pentanes (petroleum)
  • LNK
  • CAS-109-66-0
  • MFCD00009498

  • Pentanes
  • 68476-55-1
  • 68476-43-7
  • 102056-77-9
  • Pentane, analytical standard
  • EPA Pesticide Chemical Code 098001
  • Hydrocarbons, C4-6, C5-rich
  • n-Pentan
  • Caswell No. 642AA
  • Hydrocarbons, C5-rich

  • Pentani [Italian]
  • Pentanen [Dutch]
  • Pentan [Polish]
  • Tetraspot
  • Tetrakil
  • Tetrafume
  • Amyl hydride
  • Pentani
  • Pentanen
  • Skellysolve A

  • Pentan
  • 109-66-0
  • n-Pentane

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PENTANE Identification Summary Frequently Asked Questions (FAQs)

What’s the formula of PENTANE?
C5H12
How many atoms and what are the elements in the PENTANE molecule?
17 atom(s) - 12 Hydrogen atom(s) and 5 Carbon atom(s)
How many chemical bonds and what types of bonds are in the PENTANE structure?
16 bond(s) - 4 non-H bond(s) and 2 rotatable bond(s)
What’s the molar mass of PENTANE?
72.14878 g/mol
What’s the SMILES format of PENTANE?
CCCCC
What’s the InChI format of PENTANE?
InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3
What’s the InChIKey string of PENTANE?
OFBQJSOFQDEBGM-UHFFFAOYSA-N

4573 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).