Eucommiol
PubChem CID: 154373
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Eucommiol, 55930-44-4, (1R,2R)-2-(2-hydroxyethyl)-3,4-bis(hydroxymethyl)cyclopent-3-en-1-ol, 1-Cyclopentene-1,2-dimethanol, 4-hydroxy-3-(2-hydroxyethyl)-, (3R,4R)-, C9H16O4, SCHEMBL422795, DTXSID80204529, CHEBI:133889, HY-N7944, AKOS040763755, DA-53058, CS-0138856, C17878 |
|---|---|
| Topological Polar Surface Area | 80.9 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 200.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1R,2R)-2-(2-hydroxyethyl)-3,4-bis(hydroxymethyl)cyclopent-3-en-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | -2.4 |
| Molecular Formula | C9H16O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UALKMMWWGMFYEX-VXNVDRBHSA-N |
| Fcsp3 | 0.7777777777777778 |
| Logs | -6.666 |
| Rotatable Bond Count | 4.0 |
| Logd | 5.971 |
| Compound Name | Eucommiol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 188.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 188.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 188.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.7942174 |
| Inchi | InChI=1S/C9H16O4/c10-2-1-7-8(5-12)6(4-11)3-9(7)13/h7,9-13H,1-5H2/t7-,9-/m1/s1 |
| Smiles | C1[C@H]([C@@H](C(=C1CO)CO)CCO)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Eucommia Ulmoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all