2,2-Diethoxyethanol
PubChem CID: 12129
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| Compound Synonyms | 2,2-DIETHOXYETHANOL, 621-63-6, Ethanol, 2,2-diethoxy-, Glycolaldehyde diethyl acetal, 2,2-diethoxy-ethanol, 2,2-diethoxyethan-1-ol, Glycolaldehyde, diethyl acetal, MFCD00051486, 6T6P26VUF6, NSC-9255, EINECS 210-697-5, HYDROXYACETALDEHYDE DIETHYL ACETAL, DTXSID60211155, 2-Hydroxyacetaldehyde diethylacetal, 2-hydroxyacetaldehyde diethyl acetal, NSC 9255, Ethanol,2-diethoxy-, 2,2-Diethoxyethanol #, glycolaldehyde diethylacetal, glycol aldehyde diethylacetal, UNII-6T6P26VUF6, SCHEMBL605278, 1,1-Diethoxy-2-hydroxyethane, hydroxyacetaldehyde diethylacetal, DTXCID60133646, NSC9255, Glycolaldehyde diethyl acetal, 98%, Glycolaldehyde diethyl acetal, stab. with ca 0.1% sodium carbonate, AKOS009159479, CS-W011070, AC-30958, AS-13204, SY002893, DB-005809, NS00034947, EN300-134809, 2,2-Diethoxyethanol stabilized with ca. 0.1% Sodium Carbonate, 210-697-5, Diethyl Acetal Glycolaldehyde, 2,2-Diethoxyethanol, 2-Hydroxyacetaldehyde Diethyl Acetal, Hydroxyacetaldehyde Diethyl Acetal, NSC 9255 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 38.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Fatty alcohols |
| Deep Smiles | OCCOCC)))OCC |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Ethers |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 50.3 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,2-diethoxyethanol |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 0.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H14O3 |
| Inchi Key | IKKUKDZKIIIKJK-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 5.0 |
| Synonyms | 2,2-diethoxyethanol |
| Esol Class | Very soluble |
| Functional Groups | CO, COC(C)OC |
| Compound Name | 2,2-Diethoxyethanol |
| Exact Mass | 134.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 134.094 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 134.17 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C6H14O3/c1-3-8-6(5-7)9-4-2/h6-7H,3-5H2,1-2H3 |
| Smiles | CCOC(CO)OCC |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Cestrum Nocturnum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2010.10643871