Home Chemical Formula 1-trans-2-methylpropylcyclopentane

Chemical Formula of 1-trans-2-methylpropylcyclopentane (C9H18)

Identification of 1-trans-2-methylpropylcyclopentane Chemical Compound

2D chemical structure image of 1-trans-2-methylpropylcyclopentane
Chemical Formula C9H18
Molecular Weight 126.23922 g/mol
IUPAC Name (1R,2R)-1-methyl-2-propylcyclopentane
SMILES String CCCC1CCCC1C
InChI InChI=1S/C9H18/c1-3-5-9-7-4-6-8(9)2/h8-9H,3-7H2,1-2H3/t8-,9-/m1/s1
InChIKey ADQJFBQXLAAVQA-RKDXNWHRSA-N

Chemical Formula Description

The 1-trans-2-methylpropylcyclopentane molecule contains a total of 27 atom(s). There are 18 Hydrogen atom(s) and 9 Carbon atom(s). A chemical formula of 1-trans-2-methylpropylcyclopentane can therefore be written as:

C9H18

The chemical formula of 1-trans-2-methylpropylcyclopentane 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-trans-2-methylpropylcyclopentane
Ball-and-stick model of 1-trans-2-methylpropylcyclopentane

Additional Information for Identifying 1-trans-2-methylpropylcyclopentane Molecule

  • Structure Data File (SDF) of 1-trans-2-methylpropylcyclopentane

    The structure data file (SDF) of 1-trans-2-methylpropylcyclopentane is available for download in the SDF page of 1-trans-2-methylpropylcyclopentane providing the information about the atoms, bonds, connectivity and coordinates of 1-trans-2-methylpropylcyclopentane, which is not completely available in the chemical formula representation. The 1-trans-2-methylpropylcyclopentane structure data file can be imported to most of the cheminformatics software for further analysis and visualization.

  • Chemical structure of 1-trans-2-methylpropylcyclopentane

    The chemical structure image of 1-trans-2-methylpropylcyclopentane is available in chemical structure page of 1-trans-2-methylpropylcyclopentane, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of 1-trans-2-methylpropylcyclopentane and the chemical bonds that hold the atoms together.

  • Molecular weight of 1-trans-2-methylpropylcyclopentane

    The molecular weight of 1-trans-2-methylpropylcyclopentane is available in molecular weight page of 1-trans-2-methylpropylcyclopentane, 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-trans-2-methylpropylcyclopentane.

  • InChI (IUPAC International Chemical Identifier) information of 1-trans-2-methylpropylcyclopentane

    The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of 1-trans-2-methylpropylcyclopentane is:

    InChI=1S/C9H18/c1-3-5-9-7-4-6-8(9)2/h8-9H,3-7H2,1-2H3/t8-,9-/m1/s1

    It can provide a standard way to encode the molecular information of 1-trans-2-methylpropylcyclopentane 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-trans-2-methylpropylcyclopentane is:

    InChIKey=ADQJFBQXLAAVQA-RKDXNWHRSA-N

    The InChIKey may allow easier web searches for 1-trans-2-methylpropylcyclopentane, but it needs to be linked to the full InChI to get back to the original structure of the 1-trans-2-methylpropylcyclopentane since the full standard InChI cannot be reconstructed from the InChIKey.

  • Other names (synonyms) or registry numbers of 1-trans-2-methylpropylcyclopentane

    The 1-trans-2-methylpropylcyclopentane compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of 1-trans-2-methylpropylcyclopentane including the registry numbers is given below, if available:

    • 1-trans-2-methylpropylcyclopentane
    • 932-44-5
    • 1-Methyl-2-propylcyclopentane, trans
    • (1R,2R)-1-methyl-2-propylcyclopentane
    • 1-METHYL-TRANS-2-PROPYLCYCLOPENTANE

1-trans-2-methylpropylcyclopentane Identification Summary Frequently Asked Questions (FAQs)

  • What’s the chemical formula of 1-trans-2-methylpropylcyclopentane?

    C9H18
  • How many atoms and what are they in the 1-trans-2-methylpropylcyclopentane structure?

    27 atom(s) – 18 Hydrogen atom(s) and 9 Carbon atom(s)
  • How many chemical bonds and what are they in the 1-trans-2-methylpropylcyclopentane structure?

    27 bond(s) – 9 non-H bond(s), 2 rotatable bond(s) and 1 five-membered ring(s)
  • What’s the molecular weight of 1-trans-2-methylpropylcyclopentane?

    126.23922 g/mol
  • What’s the SMILES string of 1-trans-2-methylpropylcyclopentane?

    CCCC1CCCC1C
  • What’s the InChI of 1-trans-2-methylpropylcyclopentane?

    InChI=1S/C9H18/c1-3-5-9-7-4-6-8(9)2/h8-9H,3-7H2,1-2H3/t8-,9-/m1/s1
  • What’s the InChIKey of 1-trans-2-methylpropylcyclopentane?

    ADQJFBQXLAAVQA-RKDXNWHRSA-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.