methyl (2R)-2-hydroxyoctadec-9-enoate
PubChem CID: 162970942
Connections displayed (default: 10).
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| Topological Polar Surface Area | 46.5 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 274.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | methyl (2R)-2-hydroxyoctadec-9-enoate |
| Prediction Hob | 0.0 |
| Xlogp | 6.9 |
| Molecular Formula | C19H36O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YURWZDJEVHQYGV-GOSISDBHSA-N |
| Fcsp3 | 0.8421052631578947 |
| Logs | -4.181 |
| Rotatable Bond Count | 16.0 |
| Logd | 4.126 |
| Compound Name | methyl (2R)-2-hydroxyoctadec-9-enoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 312.266 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 312.266 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 312.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -5.0432628 |
| Inchi | InChI=1S/C19H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19(21)22-2/h10-11,18,20H,3-9,12-17H2,1-2H3/t18-/m1/s1 |
| Smiles | CCCCCCCCC=CCCCCCC[C@H](C(=O)OC)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lycium Barbarum (Plant) Rel Props:Source_db:cmaup_ingredients