methyl (8R)-8-hydroxydodecanoate
PubChem CID: 163007378
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 46.5 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 169.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | methyl (8R)-8-hydroxydodecanoate |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C13H26O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WYUVHXAVEPRUNL-GFCCVEGCSA-N |
| Fcsp3 | 0.9230769230769232 |
| Logs | -3.577 |
| Rotatable Bond Count | 11.0 |
| Logd | 2.779 |
| Compound Name | methyl (8R)-8-hydroxydodecanoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 230.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 230.188 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 230.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.6715576 |
| Inchi | InChI=1S/C13H26O3/c1-3-4-9-12(14)10-7-5-6-8-11-13(15)16-2/h12,14H,3-11H2,1-2H3/t12-/m1/s1 |
| Smiles | CCCC[C@H](CCCCCCC(=O)OC)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Ludoviciana (Plant) Rel Props:Source_db:cmaup_ingredients