Rengyoxide
PubChem CID: 14353410
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| Compound Synonyms | Rengyoxide, 93675-86-6, DTXSID101318352 |
|---|---|
| Topological Polar Surface Area | 49.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 159.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-(2-hydroxyethyl)-7-oxabicyclo[2.2.1]heptan-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | -0.1 |
| Molecular Formula | C8H14O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZJAVMYIMENEGJC-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -4.104 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.471 |
| Compound Name | Rengyoxide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 158.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 158.094 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 158.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.6321213999999999 |
| Inchi | InChI=1S/C8H14O3/c9-6-5-7-1-3-8(10,11-7)4-2-7/h9-10H,1-6H2 |
| Smiles | C1CC2(CCC1(O2)CCO)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Forsythia Suspensa (Plant) Rel Props:Source_db:cmaup_ingredients