methyl (2R)-2-hydroxyoctadeca-9,12-dienoate
PubChem CID: 162989848
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 | 308.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | methyl (2R)-2-hydroxyoctadeca-9,12-dienoate |
| Prediction Hob | 0.0 |
| Xlogp | 6.2 |
| Molecular Formula | C19H34O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CIOUQKGNHMSZRR-GOSISDBHSA-N |
| Fcsp3 | 0.7368421052631579 |
| Logs | -3.812 |
| Rotatable Bond Count | 15.0 |
| Logd | 3.989 |
| Compound Name | methyl (2R)-2-hydroxyoctadeca-9,12-dienoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 310.251 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 310.251 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 310.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -4.662063599999999 |
| Inchi | InChI=1S/C19H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19(21)22-2/h7-8,10-11,18,20H,3-6,9,12-17H2,1-2H3/t18-/m1/s1 |
| Smiles | CCCCCC=CCC=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 - 2. Outgoing r'ship
FOUND_INto/from Monarda Didyma (Plant) Rel Props:Source_db:cmaup_ingredients