Ethyl diethoxyacetate
PubChem CID: 80169
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Ethyl diethoxyacetate, 6065-82-3, ethyl 2,2-diethoxyacetate, Acetic acid, diethoxy-, ethyl ester, Diethoxyacetic acid ethyl ester, MFCD00009231, ETHYL-2,2-DIETHOXYACETATE, EINECS 227-999-8, ACETIC ACID,DIETHOXY,ETHYL ESTER, Acetic acid, 2,2-diethoxy-, ethyl ester, Diethoxy-acetic acid ethyl ester, DTXSID2064101, Glyoxylic acid ethyl ester diethyl acetal, Ethyldiethoxyacetate, ethyl bis(ethyloxy)acetate, Ethyl diethoxyacetate, 97%, SCHEMBL143815, Ethyl Glyoxylate Diethyl Acetal, DTXCID2042854, STR03318, AKOS009157532, DIETHOXY ACETIC ACID ETHYLESTER, CS-W001603, HY-W001603, SY009521, DB-002716, D1883, NS00034424, EN300-39039, F0001-1587, Z381787790, 227-999-8 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 44.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Wax monoesters |
| Deep Smiles | CCOC=O)COCC)))OCC |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Classyfire Subclass | Carboxylic acid derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 118.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | ethyl 2,2-diethoxyacetate |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | 1.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H16O4 |
| Inchi Key | XCLBIKIQSCTANZ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 7.0 |
| Synonyms | ethyl diethoxyacetate |
| Esol Class | Very soluble |
| Functional Groups | COC(=O)C(OC)OC |
| Compound Name | Ethyl diethoxyacetate |
| Exact Mass | 176.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 176.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 176.21 |
| 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/C8H16O4/c1-4-10-7(9)8(11-5-2)12-6-3/h8H,4-6H2,1-3H3 |
| Smiles | CCOC(C(=O)OCC)OCC |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty esters |
- 1. Outgoing r'ship
FOUND_INto/from Cestrum Nocturnum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2010.10643871