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SDF/Mol File of [(2R)-2-methyl-2-(2-methylpropyl)heptyl]benzene (C18H30)

Identification of [(2R)-2-methyl-2-(2-methylpropyl)heptyl]benzene Chemical Compound

2D chemical structure image of [(2R)-2-methyl-2-(2-methylpropyl)heptyl]benzene
Chemical Formula C18H30
Molecular Weight 246.4308 g/mol
IUPAC Name [(2R)-2-methyl-2-(2-methylpropyl)heptyl]benzene
SMILES String CCCCCC(C)(CC(C)C)Cc1ccccc1
InChI InChI=1S/C18H30/c1-5-6-10-13-18(4,14-16(2)3)15-17-11-8-7-9-12-17/h7-9,11-12,16H,5-6,10,13-15H2,1-4H3/t18-/m1/s1
InChIKey CJLJPMDDMNABSG-GOSISDBHSA-N

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of [(2R)-2-methyl-2-(2-methylpropyl)heptyl]benzene is available for download. Click the link below to start downloading.

Download structure data file (SDF/MOL File)

The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of [(2R)-2-methyl-2-(2-methylpropyl)heptyl]benzene molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.

The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.

3D chemical structure image of [(2R)-2-methyl-2-(2-methylpropyl)heptyl]benzene
Ball-and-stick model of [(2R)-2-methyl-2-(2-methylpropyl)heptyl]benzene

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Additional Information for Identifying [(2R)-2-methyl-2-(2-methylpropyl)heptyl]benzene Molecule

  • Chemical structure of [(2R)-2-methyl-2-(2-methylpropyl)heptyl]benzene

    By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of [(2R)-2-methyl-2-(2-methylpropyl)heptyl]benzene is available in chemical structure page of [(2R)-2-methyl-2-(2-methylpropyl)heptyl]benzene, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

  • Molecular weight of [(2R)-2-methyl-2-(2-methylpropyl)heptyl]benzene

    The molecular weight of [(2R)-2-methyl-2-(2-methylpropyl)heptyl]benzene is available in molecular weight page of [(2R)-2-methyl-2-(2-methylpropyl)heptyl]benzene, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.

  • Chemical formula of [(2R)-2-methyl-2-(2-methylpropyl)heptyl]benzene

    The chemical formula of [(2R)-2-methyl-2-(2-methylpropyl)heptyl]benzene is given in chemical formula page of [(2R)-2-methyl-2-(2-methylpropyl)heptyl]benzene, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

  • InChI (IUPAC International Chemical Identifier) information of [(2R)-2-methyl-2-(2-methylpropyl)heptyl]benzene

    An alternative way of expressing structural information in text format is InChI. The full standard InChI of [(2R)-2-methyl-2-(2-methylpropyl)heptyl]benzene is:

    InChI=1S/C18H30/c1-5-6-10-13-18(4,14-16(2)3)15-17-11-8-7-9-12-17/h7-9,11-12,16H,5-6,10,13-15H2,1-4H3/t18-/m1/s1

    It can provide a standard way to encode the molecular information of [(2R)-2-methyl-2-(2-methylpropyl)heptyl]benzene 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 [(2R)-2-methyl-2-(2-methylpropyl)heptyl]benzene is:

    InChIKey=CJLJPMDDMNABSG-GOSISDBHSA-N

    The InChIKey may allow easier web searches for [(2R)-2-methyl-2-(2-methylpropyl)heptyl]benzene, but it needs to be linked to the full InChI to get back to the original structure of the [(2R)-2-methyl-2-(2-methylpropyl)heptyl]benzene since the full standard InChI cannot be reconstructed from the InChIKey.

  • Other names (synonyms) or registry numbers of [(2R)-2-methyl-2-(2-methylpropyl)heptyl]benzene

    The [(2R)-2-methyl-2-(2-methylpropyl)heptyl]benzene compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of [(2R)-2-methyl-2-(2-methylpropyl)heptyl]benzene including the registry numbers are listed below, if available:



    None available.


[(2R)-2-methyl-2-(2-methylpropyl)heptyl]benzene Identification Summary Frequently Asked Questions (FAQs)

What’s the [(2R)-2-methyl-2-(2-methylpropyl)heptyl]benzene formula?
C18H30
How many atoms and what elements are included in the [(2R)-2-methyl-2-(2-methylpropyl)heptyl]benzene molecule?
48 atom(s) - 30 Hydrogen atom(s) and 18 Carbon atom(s)
How many chemical bonds and what kind of bonds are in the [(2R)-2-methyl-2-(2-methylpropyl)heptyl]benzene structure?
48 bond(s) - 18 non-H bond(s), 6 multiple bond(s), 8 rotatable bond(s), 6 aromatic bond(s), and 1 six-membered ring(s)
What’s the [(2R)-2-methyl-2-(2-methylpropyl)heptyl]benzene’s molar mass?
246.4308 g/mol
What’s the SMILES structure of [(2R)-2-methyl-2-(2-methylpropyl)heptyl]benzene?
CCCCCC(C)(CC(C)C)Cc1ccccc1
What’s the InChI code of [(2R)-2-methyl-2-(2-methylpropyl)heptyl]benzene?
InChI=1S/C18H30/c1-5-6-10-13-18(4,14-16(2)3)15-17-11-8-7-9-12-17/h7-9,11-12,16H,5-6,10,13-15H2,1-4H3/t18-/m1/s1
What’s the InChIKey format of [(2R)-2-methyl-2-(2-methylpropyl)heptyl]benzene?
CJLJPMDDMNABSG-GOSISDBHSA-N

42 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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