2,2,2-Triethoxyethanol
PubChem CID: 5322034
Connections displayed (default: 10).
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| Compound Synonyms | SCHEMBL4096745 |
|---|---|
| Topological Polar Surface Area | 47.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 88.2 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,2,2-triethoxyethanol |
| Prediction Hob | 1.0 |
| Xlogp | 0.3 |
| Molecular Formula | C8H18O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UOGBMDMLDZZHGP-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -6.513 |
| Rotatable Bond Count | 7.0 |
| Logd | 4.34 |
| Compound Name | 2,2,2-Triethoxyethanol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 178.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 178.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 178.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.6594135999999999 |
| Inchi | InChI=1S/C8H18O4/c1-4-10-8(7-9,11-5-2)12-6-3/h9H,4-7H2,1-3H3 |
| Smiles | CCOC(CO)(OCC)OCC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Panax Notoginseng (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Panax Pseudo (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Panax Pseudo-Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Stephania Tetrandra (Plant) Rel Props:Source_db:cmaup_ingredients