Home Chemical Formula (2S,3R)-2-propylheptane-1,3-diol

Chemical Formula of (2S,3R)-2-propylheptane-1,3-diol (C10H22O2)

Identification of (2S,3R)-2-propylheptane-1,3-diol Chemical Compound

2D chemical structure image of (2S,3R)-2-propylheptane-1,3-diol
Chemical Formula C10H22O2
Molecular Weight 174.28048 g/mol
IUPAC Name (2S,3R)-2-propylheptane-1,3-diol
SMILES String CCCCC(O)C(CO)CCC
InChI InChI=1S/C10H22O2/c1-3-5-7-10(12)9(8-11)6-4-2/h9-12H,3-8H2,1-2H3/t9-,10+/m0/s1
InChIKey ABKPXFXYNQLANQ-VHSXEESVSA-N

Chemical Formula Description

The (2S,3R)-2-propylheptane-1,3-diol molecule contains a total of 34 atom(s). There are 22 Hydrogen atom(s), 10 Carbon atom(s) and 2 Oxygen atom(s). A chemical formula of (2S,3R)-2-propylheptane-1,3-diol can therefore be written as:

C10H22O2

The chemical formula of (2S,3R)-2-propylheptane-1,3-diol shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.

The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.

Ball-and-stick model of (2S,3R)-2-propylheptane-1,3-diol
Ball-and-stick model of (2S,3R)-2-propylheptane-1,3-diol

Additional Information for Identifying (2S,3R)-2-propylheptane-1,3-diol Molecule


  • InChI (IUPAC International Chemical Identifier) information of (2S,3R)-2-propylheptane-1,3-diol

    The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of (2S,3R)-2-propylheptane-1,3-diol is:

    InChI=1S/C10H22O2/c1-3-5-7-10(12)9(8-11)6-4-2/h9-12H,3-8H2,1-2H3/t9-,10+/m0/s1

    It can provide a standard way to encode the molecular information of (2S,3R)-2-propylheptane-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 (2S,3R)-2-propylheptane-1,3-diol is:

    InChIKey=ABKPXFXYNQLANQ-VHSXEESVSA-N

    The InChIKey may allow easier web searches for (2S,3R)-2-propylheptane-1,3-diol, but it needs to be linked to the full InChI to get back to the original structure of the (2S,3R)-2-propylheptane-1,3-diol since the full standard InChI cannot be reconstructed from the InChIKey.

  • Other names (synonyms) or registry numbers of (2S,3R)-2-propylheptane-1,3-diol

    The (2S,3R)-2-propylheptane-1,3-diol compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of (2S,3R)-2-propylheptane-1,3-diol including the registry numbers is given below, if available:



    None available.


(2S,3R)-2-propylheptane-1,3-diol Identification Summary Frequently Asked Questions (FAQs)

  • What’s the chemical formula of (2S,3R)-2-propylheptane-1,3-diol?

    C10H22O2
  • How many atoms and what are they in the (2S,3R)-2-propylheptane-1,3-diol structure?

    34 atom(s) – 22 Hydrogen atom(s), 10 Carbon atom(s) and 2 Oxygen atom(s)
  • How many chemical bonds and what are they in the (2S,3R)-2-propylheptane-1,3-diol structure?

    33 bond(s) – 11 non-H bond(s), 7 rotatable bond(s), 2 hydroxyl group(s), 1 primary alcohol(s) and 1 secondary alcohol(s)
  • What’s the molecular weight of (2S,3R)-2-propylheptane-1,3-diol?

    174.28048 g/mol
  • What’s the SMILES string of (2S,3R)-2-propylheptane-1,3-diol?

    CCCCC(O)C(CO)CCC
  • What’s the InChI of (2S,3R)-2-propylheptane-1,3-diol?

    InChI=1S/C10H22O2/c1-3-5-7-10(12)9(8-11)6-4-2/h9-12H,3-8H2,1-2H3/t9-,10+/m0/s1
  • What’s the InChIKey of (2S,3R)-2-propylheptane-1,3-diol?

    ABKPXFXYNQLANQ-VHSXEESVSA-N

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