Ethyl 2,2,3,3-tetradeuteriononanoate
PubChem CID: 11355969
Connections displayed (default: 10).
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| Topological Polar Surface Area | 26.3 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 4.0 |
| Molecular Complexity | 121.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | ethyl 2,2,3,3-tetradeuteriononanoate |
| Prediction Hob | 1.0 |
| Xlogp | 4.0 |
| Molecular Formula | C11H22O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BYEVBITUADOIGY-YQUBHJMPSA-N |
| Fcsp3 | 0.9090909090909092 |
| Logs | -4.216 |
| Rotatable Bond Count | 9.0 |
| Logd | 1.282 |
| Compound Name | Ethyl 2,2,3,3-tetradeuteriononanoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 190.187 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 190.187 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 190.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.002680324094399 |
| Inchi | InChI=1S/C11H22O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h3-10H2,1-2H3/i9D2,10D2 |
| Smiles | [2H]C([2H])(CCCCCC)C([2H])([2H])C(=O)OCC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cynomorium Songaricum (Plant) Rel Props:Source_db:cmaup_ingredients