We use cookies to analyze our website traffic for enhancement
and to serve you a better experience for your search. View cookie policy

Deep Data
Home SDF/Mol File This Compound
loading

SDF/Mol File of PENTAMETHOXYPHOSPHORANE (C5H15O5P)

Identification of PENTAMETHOXYPHOSPHORANE Chemical Compound

2D chemical structure image of PENTAMETHOXYPHOSPHORANE
Chemical Formula C5H15O5P
Molecular Weight 186.143362 g/mol
IUPAC Name dimethyl trimethoxyphosphonite
SMILES String COP(OC)(OC)(OC)OC
InChI InChI=1S/C5H15O5P/c1-6-11(7-2,8-3,9-4)10-5/h1-5H3
InChIKey OAKFHBSHEPXQGM-UHFFFAOYSA-N

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of PENTAMETHOXYPHOSPHORANE 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 PENTAMETHOXYPHOSPHORANE 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 PENTAMETHOXYPHOSPHORANE
Ball-and-stick model of PENTAMETHOXYPHOSPHORANE

Search Another SDF·MOL File

Enter another compound to search for SDF·MOL file:

Input a chemical compound consisting of C, H, N, O, S, F, Cl, Br, I, Si, P, and/or As atom(s)

Input example for Ethanol:

  • Name: ethanol
  • CAS #: 64-17-5
  • Formula: C2H5OH
  • Smiles: CCO
  • InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
  • InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N

Deep Data Application Examples

Our Deep Data encompasses property data, spectral data, quantum chemical data, and molecular descriptor data for a wide range of chemical compounds. It features more than 2,100 high-quality datasets per single chemical compound, totaling over 8 billion datasets for 4.1+ million chemical compounds. Below are some application examples that may interest you:

Additional Information for Identifying PENTAMETHOXYPHOSPHORANE Molecule

  • Chemical structure of PENTAMETHOXYPHOSPHORANE

    By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of PENTAMETHOXYPHOSPHORANE is available in chemical structure page of PENTAMETHOXYPHOSPHORANE, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

  • Molecular weight of PENTAMETHOXYPHOSPHORANE

    The molecular weight of PENTAMETHOXYPHOSPHORANE is available in molecular weight page of PENTAMETHOXYPHOSPHORANE, 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 PENTAMETHOXYPHOSPHORANE

    The chemical formula of PENTAMETHOXYPHOSPHORANE is given in chemical formula page of PENTAMETHOXYPHOSPHORANE, 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 PENTAMETHOXYPHOSPHORANE

    An alternative way of expressing structural information in text format is InChI. The full standard InChI of PENTAMETHOXYPHOSPHORANE is:

    InChI=1S/C5H15O5P/c1-6-11(7-2,8-3,9-4)10-5/h1-5H3

    It can provide a standard way to encode the molecular information of PENTAMETHOXYPHOSPHORANE 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 PENTAMETHOXYPHOSPHORANE is:

    InChIKey=OAKFHBSHEPXQGM-UHFFFAOYSA-N

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

  • Other names (synonyms) or registry numbers of PENTAMETHOXYPHOSPHORANE

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

    • Phosphorane,pentamethoxy- (7CI,8CI,9CI)
    • 1455-07-8
    • PENTAMETHOXYPHOSPHORANE

PENTAMETHOXYPHOSPHORANE Identification Summary Frequently Asked Questions (FAQs)

What’s the PENTAMETHOXYPHOSPHORANE formula?
C5H15O5P
How many atoms and what elements are included in the PENTAMETHOXYPHOSPHORANE molecule?
26 atom(s) - 15 Hydrogen atom(s), 5 Carbon atom(s), 5 Oxygen atom(s), and 1 Phosphorous atom(s)
How many chemical bonds and what kind of bonds are in the PENTAMETHOXYPHOSPHORANE structure?
25 bond(s) - 10 non-H bond(s) and 5 rotatable bond(s)
What’s the PENTAMETHOXYPHOSPHORANE’s molar mass?
186.143362 g/mol
What’s the SMILES structure of PENTAMETHOXYPHOSPHORANE?
COP(OC)(OC)(OC)OC
What’s the InChI code of PENTAMETHOXYPHOSPHORANE?
InChI=1S/C5H15O5P/c1-6-11(7-2,8-3,9-4)10-5/h1-5H3
What’s the InChIKey format of PENTAMETHOXYPHOSPHORANE?
OAKFHBSHEPXQGM-UHFFFAOYSA-N

9 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).