Home SDF/Mol File (2R)-tridecan-2-ylbenzene

SDF/Mol File of (2R)-tridecan-2-ylbenzene (C19H32)

Identification of (2R)-tridecan-2-ylbenzene Chemical Compound

2D chemical structure image of (2R)-tridecan-2-ylbenzene
Chemical Formula C19H32
Molecular Weight 260.45738 g/mol
IUPAC Name (2R)-tridecan-2-ylbenzene
SMILES String CCCCCCCCCCCC(C)c1ccccc1
InChI InChI=1S/C19H32/c1-3-4-5-6-7-8-9-10-12-15-18(2)19-16-13-11-14-17-19/h11,13-14,16-18H,3-10,12,15H2,1-2H3/t18-/m1/s1
InChIKey FCXPVFLEDIQLLO-GOSISDBHSA-N

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of (2R)-tridecan-2-ylbenzene 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)-tridecan-2-ylbenzene 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)-tridecan-2-ylbenzene
Ball-and-stick model of (2R)-tridecan-2-ylbenzene




More Properties of (2R)-tridecan-2-ylbenzene

For physicochemical, thermodynamic, transport, spectra, and other property data & information, the followings are available from “Mol-Instincts”, a chemical database based on quantum mechanics:







Additional Information for Identifying (2R)-tridecan-2-ylbenzene Molecule

  • Chemical structure of (2R)-tridecan-2-ylbenzene

    By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of (2R)-tridecan-2-ylbenzene is available in chemical structure page of (2R)-tridecan-2-ylbenzene, 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)-tridecan-2-ylbenzene

    The molecular weight of (2R)-tridecan-2-ylbenzene is available in molecular weight page of (2R)-tridecan-2-ylbenzene, 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)-tridecan-2-ylbenzene

    The chemical formula of (2R)-tridecan-2-ylbenzene is given in chemical formula page of (2R)-tridecan-2-ylbenzene, 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)-tridecan-2-ylbenzene

    An alternative way of expressing structural information in text format is InChI. The full standard InChI of (2R)-tridecan-2-ylbenzene is:

    InChI=1S/C19H32/c1-3-4-5-6-7-8-9-10-12-15-18(2)19-16-13-11-14-17-19/h11,13-14,16-18H,3-10,12,15H2,1-2H3/t18-/m1/s1

    It can provide a standard way to encode the molecular information of (2R)-tridecan-2-ylbenzene 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)-tridecan-2-ylbenzene is:

    InChIKey=FCXPVFLEDIQLLO-GOSISDBHSA-N

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

  • Other names (synonyms) or registry numbers of (2R)-tridecan-2-ylbenzene

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



    None available.


Additional Outstanding Products

(2R)-tridecan-2-ylbenzene Identification Summary Frequently Asked Questions (FAQs)

What’s the (2R)-tridecan-2-ylbenzene formula?
C19H32
How many atoms and what elements are included in the (2R)-tridecan-2-ylbenzene molecule?
51 atom(s) - 32 Hydrogen atom(s) and 19 Carbon atom(s)
How many chemical bonds and what kind of bonds are in the (2R)-tridecan-2-ylbenzene structure?
51 bond(s) - 19 non-H bond(s), 6 multiple bond(s), 11 rotatable bond(s), 6 aromatic bond(s) and 1 six-membered ring(s)
What’s the (2R)-tridecan-2-ylbenzene’s molar mass?
260.45738 g/mol
What’s the SMILES structure of (2R)-tridecan-2-ylbenzene?
CCCCCCCCCCCC(C)c1ccccc1
What’s the InChI code of (2R)-tridecan-2-ylbenzene?
InChI=1S/C19H32/c1-3-4-5-6-7-8-9-10-12-15-18(2)19-16-13-11-14-17-19/h11,13-14,16-18H,3-10,12,15H2,1-2H3/t18-/m1/s1
What’s the InChIKey format of (2R)-tridecan-2-ylbenzene?
FCXPVFLEDIQLLO-GOSISDBHSA-N

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Source: Mol-Instincts Chemical Database, Predicted on Quantum.
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