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Formula of Trans-Octahydropentalene (C8H14)

Identification of Trans-Octahydropentalene Chemical Compound

2D chemical structure image of trans-Octahydropentalene
Chemical Formula C8H14
Molecular Weight 110.19676 g/mol
IUPAC Name octahydropentalene
SMILES String C2CC1CCCC1C2
InChI InChI=1S/C8H14/c1-3-7-5-2-6-8(7)4-1/h7-8H,1-6H2/t7-,8-
InChIKey AEBWATHAIVJLTA-ZKCHVHJHSA-N

Chemical Formula Description

The trans-Octahydropentalene molecule contains a total of 22 atom(s). There are 14 Hydrogen atom(s) and 8 Carbon atom(s). A chemical formula of trans-Octahydropentalene can therefore be written as:

C8H14

The chemical formula of trans-Octahydropentalene 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.

3D chemical structure image of trans-Octahydropentalene
Ball-and-stick model of trans-Octahydropentalene

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Additional Information for Identifying Trans-Octahydropentalene Molecule


  • InChI (IUPAC International Chemical Identifier) information of trans-Octahydropentalene

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

    InChI=1S/C8H14/c1-3-7-5-2-6-8(7)4-1/h7-8H,1-6H2/t7-,8-

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

    InChIKey=AEBWATHAIVJLTA-ZKCHVHJHSA-N

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

  • Other names (synonyms) or registry numbers of trans-Octahydropentalene

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



    None available.


Trans-Octahydropentalene Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of trans-Octahydropentalene?
C8H14
How many atoms and what are they in the trans-Octahydropentalene structure?
22 atom(s) - 14 Hydrogen atom(s) and 8 Carbon atom(s)
How many chemical bonds and what are they in the trans-Octahydropentalene structure?
23 bond(s) - 9 non-H bond(s), 2 five-membered ring(s), and 1 eight-membered ring(s)
What’s the molecular weight of trans-Octahydropentalene?
110.19676 g/mol
What’s the SMILES string of trans-Octahydropentalene?
C2CC1CCCC1C2
What’s the InChI of trans-Octahydropentalene?
InChI=1S/C8H14/c1-3-7-5-2-6-8(7)4-1/h7-8H,1-6H2/t7-,8-
What’s the InChIKey of trans-Octahydropentalene?
AEBWATHAIVJLTA-ZKCHVHJHSA-N

423 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).

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