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Molecular Weight 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

Molecular Weight Description

The trans-Octahydropentalene molecule consists of 14 Hydrogen atom(s) and 8 Carbon atom(s) - a total of 22 atom(s). The molecular weight of trans-Octahydropentalene is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:

$$ 110.19676 · \frac{g}{mol} $$

The exact term of the above molecular weight is “molar mass”, which is based on the atomic mass of each element. Molecular weight is actually an older term of “relative molar mass” or “molecular mass”, which is a dimensionless quantity equal to the molar mass divided by the molar mass constant defined by 1 g/mol.

Molecular masses are calculated from the standard atomic weights of each nuclide, while molar masses are calculated from the atomic mass of each element. The atomic mass takes into account the isotopic distribution of the element in a given sample.

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

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

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

    It can provide a 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

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

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

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



    None available.


Trans-Octahydropentalene Identification Summary Frequently Asked Questions (FAQs)

What’s the formula of trans-Octahydropentalene?
C8H14
How many atoms and what are the elements in the trans-Octahydropentalene molecule?
22 atom(s) - 14 Hydrogen atom(s) and 8 Carbon atom(s)
How many chemical bonds and what types of bonds are 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 molar mass of trans-Octahydropentalene?
110.19676 g/mol
What’s the SMILES format of trans-Octahydropentalene?
C2CC1CCCC1C2
What’s the InChI format 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 string of trans-Octahydropentalene?
AEBWATHAIVJLTA-ZKCHVHJHSA-N

72 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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