SDF/Mol File of (3S)-hex-5-yn-3-ol (C6H10O)
Identification of (3S)-hex-5-yn-3-ol Chemical Compound
|Molecular Weight||98.143 g/mol|
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of (3S)-hex-5-yn-3-ol is available for download. Click the link below to start downloading.
The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of (3S)-hex-5-yn-3-ol 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.
Additional Information for Identifying (3S)-hex-5-yn-3-ol Molecule
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of (3S)-hex-5-yn-3-ol is available in chemical structure page of (3S)-hex-5-yn-3-ol, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.
The molecular weight of (3S)-hex-5-yn-3-ol is available in molecular weight page of (3S)-hex-5-yn-3-ol, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.
The chemical formula of (3S)-hex-5-yn-3-ol is given in chemical formula page of (3S)-hex-5-yn-3-ol, 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 (3S)-hex-5-yn-3-ol
An alternative way of expressing structural information in text format is InChI. The full standard InChI of (3S)-hex-5-yn-3-ol is:
It can provide a standard way to encode the molecular information of (3S)-hex-5-yn-3-ol 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 (3S)-hex-5-yn-3-ol is:
The InChIKey may allow easier web searches for (3S)-hex-5-yn-3-ol, but it needs to be linked to the full InChI to get back to the original structure of the (3S)-hex-5-yn-3-ol since the full standard InChI cannot be reconstructed from the InChIKey.
Other names (synonyms) or registry numbers of (3S)-hex-5-yn-3-ol
The (3S)-hex-5-yn-3-ol compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of (3S)-hex-5-yn-3-ol including the registry numbers are listed below, if available:
- 5-HEXYN-3-OL, (3S)-
(3S)-hex-5-yn-3-ol Identification Summary Frequently Asked Questions (FAQs)
|What’s the (3S)-hex-5-yn-3-ol formula?|
|How many atoms and what elements are included in the (3S)-hex-5-yn-3-ol molecule?|
|17 atom(s) – 10 Hydrogen atom(s), 6 Carbon atom(s) and 1 Oxygen atom(s)|
|How many chemical bonds and what kind of bonds are in the (3S)-hex-5-yn-3-ol structure?|
|16 bond(s) – 6 non-H bond(s), 1 multiple bond(s), 2 rotatable bond(s), 1 triple bond(s), 1 hydroxyl group(s) and 1 secondary alcohol(s)|
|What’s the (3S)-hex-5-yn-3-ol’s molar mass?|
|What’s the SMILES structure of (3S)-hex-5-yn-3-ol?|
|What’s the InChI code of (3S)-hex-5-yn-3-ol?|
|What’s the InChIKey format of (3S)-hex-5-yn-3-ol?|