Squalene

Chemical Information
Squalene is a triterpene consisting of 2,6,10,15,19,23-hexamethyltetracosane having six double bonds at the 2-, 6-, 10-, 14-, 18- and 22-positions with (all-E)-configuration. It has a role as a mouse metabolite, a Saccharomyces cerevisiae metabolite, a plant metabolite and a human metabolite.
| CAS Number | 111-02-4 |
| PubChem CID | 638072 |
| IUPAC Name | (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene |
| Molecular Formula | C30H50 |
| Molecular Weight | 410.7 |
| XLogP | 11.6 |
| Topological Polar Surface Area | 0 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 15 |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 578 |
| Property | Value |
|---|---|
| Molecular Weight | 410.7 |
| XLogP3 | 11.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 15 |
| Exact Mass | 410.391251595 |
| Monoisotopic Mass | 410.391251595 |
| Topological Polar Surface Area | 0 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 578 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 4 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
Related Products
| Catalog | Name |
|---|---|
| GTR19158119-01 | Squalane |
| GTR19169583-01 | Squalane |
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