Diethyl Oxalate
PubChem CID: 7268
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| Compound Synonyms | DIETHYL OXALATE, 95-92-1, Ethyl oxalate, diethyloxalate, Ethanedioic acid, diethyl ester, Diethyl ethanedioate, Oxalic ether, Oxalic acid, diethyl ester, Oxalic Acid Diethyl Ester, Ethyl oxalate (VAN), NSC 8851, Diethylester kyseliny stavelove, HSDB 2131, EINECS 202-464-1, UNII-860M3ZWF6J, Diethyl ester of oxalic acid, MFCD00009119, UN2525, Diethylester kyseliny stavelove [Czech], BRN 0606350, 860M3ZWF6J, DTXSID2044472, ETHYL OXOLATE, NSC-8851, C2H5OCOCOOC2H5, Ethanedioic acid, 1,2-diethyl ester, DIETHYL OXALATE [MI], DIETHYL OXALATE [HSDB], DTXCID0024472, EC 202-464-1, 4-02-00-01848 (Beilstein Handbook Reference), ETHANEDIOC ACID, DIETHYL ESTER, UN 2525, diethyl ethaneioate, diethyl ethane-dioate, oxalic acid diethylester, 1,2-diethyl ethanedioate, Diethyl oxalate, >=99%, SCHEMBL7262, WLN: 2OVVO2, DIETHYL OXALATE [INCI], CHEMBL3183226, NSC8851, Diethyl oxalate, analytical standard, Tox21_302109, BBL011413, STL146519, Ethyl oxalate [for Spectrophotometry], AKOS000120214, Ethyl oxalate [UN2525] [Poison], FD03598, CAS-95-92-1, NCGC00255767-01, AS-14315, BP-13324, Diethyl oxalate, purum, >=99.0% (GC), NS00009607, O0078, O0120, EN300-19207, F87445, Q904612, ETHANEDIOIC ACID,DIETHYL ESTER (DIETHYLOXALATE), 5-pentyl-5-tetrahydropyran-2-yl-imidazolidine-2,4-dione, ETHANEDIOIC ACID,DIETHYL ESTER (DIETHYLOXALATE), F1908-0115, Z104473164, 202-464-1, Ethanedioic Acid 1,2-Diethyl Ester, Oxalic Acid Diethyl Ester, Diethyl Ethanedioate, Ethyl Oxalate, NSC 8851 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 52.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Wax monoesters |
| Deep Smiles | CCOC=O)C=O)OCC |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Classyfire Subclass | Dicarboxylic acids and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 114.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | diethyl oxalate |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | 0.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H10O4 |
| Inchi Key | WYACBZDAHNBPPB-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 5.0 |
| Synonyms | diethyl oxalate |
| Esol Class | Very soluble |
| Functional Groups | COC(=O)C(=O)OC |
| Compound Name | Diethyl Oxalate |
| Exact Mass | 146.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 146.058 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 146.14 |
| 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/C6H10O4/c1-3-9-5(7)6(8)10-4-2/h3-4H2,1-2H3 |
| Smiles | CCOC(=O)C(=O)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 Couroupita Guianensis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1995.9698507 - 2. Outgoing r'ship
FOUND_INto/from Lawsonia Inermis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1995.9698554 - 3. Outgoing r'ship
FOUND_INto/from Mimusops Elengi (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1994.9698425