Home Chemical Formula 1-(pentyloxy)hexane

Chemical Formula of 1-(pentyloxy)hexane (C11H24O)

Identification of 1-(pentyloxy)hexane Chemical Compound

2D chemical structure image of 1-(pentyloxy)hexane
Chemical Formula C11H24O
Molecular Weight 172.30766 g/mol
IUPAC Name 1-(pentyloxy)hexane
SMILES String CCCCCCOCCCCC
InChI InChI=1S/C11H24O/c1-3-5-7-9-11-12-10-8-6-4-2/h3-11H2,1-2H3
InChIKey ABMGECRLBPHGSD-UHFFFAOYSA-N

Chemical Formula Description

The 1-(pentyloxy)hexane molecule contains a total of 36 atom(s). There are 24 Hydrogen atom(s), 11 Carbon atom(s) and 1 Oxygen atom(s). A chemical formula of 1-(pentyloxy)hexane can therefore be written as:

C11H24O

The chemical formula of 1-(pentyloxy)hexane shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.

The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.

Ball-and-stick model of 1-(pentyloxy)hexane
Ball-and-stick model of 1-(pentyloxy)hexane

Additional Information for Identifying 1-(pentyloxy)hexane Molecule

  • Structure Data File (SDF) of 1-(pentyloxy)hexane

    The structure data file (SDF) of 1-(pentyloxy)hexane is available for download in the SDF page of 1-(pentyloxy)hexane providing the information about the atoms, bonds, connectivity and coordinates of 1-(pentyloxy)hexane, which is not completely available in the chemical formula representation. The 1-(pentyloxy)hexane structure data file can be imported to most of the cheminformatics software for further analysis and visualization.

  • Chemical structure of 1-(pentyloxy)hexane

    The chemical structure image of 1-(pentyloxy)hexane is available in chemical structure page of 1-(pentyloxy)hexane, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of 1-(pentyloxy)hexane and the chemical bonds that hold the atoms together.

  • Molecular weight of 1-(pentyloxy)hexane

    The molecular weight of 1-(pentyloxy)hexane is available in molecular weight page of 1-(pentyloxy)hexane, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element specified in the chemical formula of 1-(pentyloxy)hexane.

  • InChI (IUPAC International Chemical Identifier) information of 1-(pentyloxy)hexane

    The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of 1-(pentyloxy)hexane is:

    InChI=1S/C11H24O/c1-3-5-7-9-11-12-10-8-6-4-2/h3-11H2,1-2H3

    It can provide a standard way to encode the molecular information of 1-(pentyloxy)hexane 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-(pentyloxy)hexane is:

    InChIKey=ABMGECRLBPHGSD-UHFFFAOYSA-N

    The InChIKey may allow easier web searches for 1-(pentyloxy)hexane, but it needs to be linked to the full InChI to get back to the original structure of the 1-(pentyloxy)hexane since the full standard InChI cannot be reconstructed from the InChIKey.

  • Other names (synonyms) or registry numbers of 1-(pentyloxy)hexane

    The 1-(pentyloxy)hexane compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of 1-(pentyloxy)hexane including the registry numbers is given below, if available:

    • Hexane, 1-(pentyloxy)-
    • 1-pentoxyhexane
    • 32357-83-8
    • Ether, hexyl pentyl
    • hexylpentyl ether
    • 1-(Pentyloxy)hexane #
    • 1-(PENTYLOXY)HEXANE

1-(pentyloxy)hexane Identification Summary Frequently Asked Questions (FAQs)

  • What’s the chemical formula of 1-(pentyloxy)hexane?

    C11H24O
  • How many atoms and what are they in the 1-(pentyloxy)hexane structure?

    36 atom(s) – 24 Hydrogen atom(s), 11 Carbon atom(s) and 1 Oxygen atom(s)
  • How many chemical bonds and what are they in the 1-(pentyloxy)hexane structure?

    35 bond(s) – 11 non-H bond(s), 9 rotatable bond(s) and 1 ether(s) (aliphatic)
  • What’s the molecular weight of 1-(pentyloxy)hexane?

    172.30766 g/mol
  • What’s the SMILES string of 1-(pentyloxy)hexane?

    CCCCCCOCCCCC
  • What’s the InChI of 1-(pentyloxy)hexane?

    InChI=1S/C11H24O/c1-3-5-7-9-11-12-10-8-6-4-2/h3-11H2,1-2H3
  • What’s the InChIKey of 1-(pentyloxy)hexane?

    ABMGECRLBPHGSD-UHFFFAOYSA-N

The contents of this page can freely be shared if cited as follows:
Source: Mol-Instincts Chemical Database, Predicted on Quantum.
Please hyperlink “Mol-Instincts” to www.molinstincts.com.