1-Ethoxy-1-methoxyethane
PubChem CID: 25298
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 1-ETHOXY-1-METHOXYETHANE, 10471-14-4, Ethane, 1-ethoxy-1-methoxy-, Acetaldehyde ethyl methyl acetal, Acetaldehyde, ethyl methyl acetal, 1,1-Ethoxymethoxyethane, EINECS 233-959-0, Acetaldehyde methyl ethyl acetyl, DTXSID50864275, 1-Ethoxy-1-methoxyethan, SCHEMBL94330, 1-Ethoxy-1-methoxyethane #, DTXCID50812812, DB-286772, NS00051927, 233-959-0 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 18.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Deep Smiles | CCOCOC))C |
| Heavy Atom Count | 7.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Ethers |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 37.1 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-ethoxy-1-methoxyethane |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 0.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C5H12O2 |
| Inchi Key | MYCXIDKAJBXPCZ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | 1-ethoxy-1 methoxy-ethane |
| Esol Class | Very soluble |
| Functional Groups | COC(C)OC |
| Compound Name | 1-Ethoxy-1-methoxyethane |
| Exact Mass | 104.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 104.084 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 104.15 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C5H12O2/c1-4-7-5(2)6-3/h5H,4H2,1-3H3 |
| Smiles | CCOC(C)OC |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Sinensis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1996.9701025