SDF/Mol File of (3R)-tridecane-1,3-diol (C13H28O2)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying (3R)-tridecane-1,3-diol Molecule

• Chemical structure of (3R)-tridecane-1,3-diol

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of (3R)-tridecane-1,3-diol is available in chemical structure page of (3R)-tridecane-1,3-diol, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• Molecular weight of (3R)-tridecane-1,3-diol

  The molecular weight of (3R)-tridecane-1,3-diol is available in molecular weight page of (3R)-tridecane-1,3-diol, 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 (3R)-tridecane-1,3-diol

  The chemical formula of (3R)-tridecane-1,3-diol is given in chemical formula page of (3R)-tridecane-1,3-diol, 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 (3R)-tridecane-1,3-diol

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of (3R)-tridecane-1,3-diol is:

  InChI=1S/C13H28O2/c1-2-3-4-5-6-7-8-9-10-13(15)11-12-14/h13-15H,2-12H2,1H3/t13-/m1/s1

  It can provide a standard way to encode the molecular information of (3R)-tridecane-1,3-diol 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 (3R)-tridecane-1,3-diol is:

  InChIKey=HVEUXCYPTJKWQE-CYBMUJFWSA-N

  The InChIKey may allow easier web searches for (3R)-tridecane-1,3-diol, but it needs to be linked to the full InChI to get back to the original structure of the (3R)-tridecane-1,3-diol since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of (3R)-tridecane-1,3-diol

  The (3R)-tridecane-1,3-diol compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of (3R)-tridecane-1,3-diol including the registry numbers are listed below, if available:

  
  
  None available.

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(3R)-tridecane-1,3-diol Identification Summary Frequently Asked Questions (FAQs)

What’s the (3R)-tridecane-1,3-diol formula?
C13H28O2
How many atoms and what elements are included in the (3R)-tridecane-1,3-diol molecule?
43 atom(s) - 28 Hydrogen atom(s), 13 Carbon atom(s), and 2 Oxygen atom(s)
How many chemical bonds and what kind of bonds are in the (3R)-tridecane-1,3-diol structure?
42 bond(s) - 14 non-H bond(s), 11 rotatable bond(s), 2 hydroxyl group(s), 1 primary alcohol(s), and 1 secondary alcohol(s)
What’s the (3R)-tridecane-1,3-diol’s molar mass?
216.36022 g/mol
What’s the SMILES structure of (3R)-tridecane-1,3-diol?
CCCCCCCCCCC(O)CCO
What’s the InChI code of (3R)-tridecane-1,3-diol?
InChI=1S/C13H28O2/c1-2-3-4-5-6-7-8-9-10-13(15)11-12-14/h13-15H,2-12H2,1H3/t13-/m1/s1
What’s the InChIKey format of (3R)-tridecane-1,3-diol?
HVEUXCYPTJKWQE-CYBMUJFWSA-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).