Ethyl 1-ethylheptyl ether
PubChem CID: 5320196
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| Compound Synonyms | ethyl 1-ethylheptyl ether |
|---|---|
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 81.1 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-ethoxynonane |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 4.3 |
| Is Pains | False |
| Molecular Formula | C11H24O |
| Prediction Swissadme | 0.0 |
| Inchi Key | HUKVDGHSQKZLPS-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 8.0 |
| Compound Name | Ethyl 1-ethylheptyl ether |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 172.183 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 172.183 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 172.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.0767344 |
| Inchi | InChI=1S/C11H24O/c1-4-7-8-9-10-11(5-2)12-6-3/h11H,4-10H2,1-3H3 |
| Smiles | CCCCCCC(CC)OCC |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Dahurica (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Cydonia Oblonga (Plant) Rel Props:Source_db:cmaup_ingredients