Diethyl Carbonate
PubChem CID: 7766
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| Compound Synonyms | DIETHYL CARBONATE, 105-58-8, Ethyl carbonate, Carbonic acid diethyl ester, Carbonic acid, diethyl ester, Eufin, Diatol, Diaethylcarbonat, Carbonic ether, Ethoxyformic anhydride, Diethylkarbonat, Ethyl carbonate ((EtO)2CO), diethylcarbonate, Diethylkarbonat [Czech], Diaethylcarbonat [German], NCI-C60899, NSC 8849, Diethylester kyseliny uhlicite, CCRIS 6229, HSDB 925, EINECS 203-311-1, UN2366, Diethylester kyseliny uhlicite [Czech], UNII-3UA92692HG, Diethyl-d10Carbonate, DTXSID3025041, AI3-00365, Diethylcarbonate, 99%, NSC-8849, Diethyl carbonate-13C5, C2H5OC(O)OC2H5, ETHYL CARBONATE [MI], Diethyl ester of carbonic acid, DTXCID105041, DIETHYL CARBONATE [HSDB], EC 203-311-1, 3UA92692HG, UN 2366, 440671-47-6, DIAETHYLCARBONAT (GERMAN), diethylcarbonat, Diethyl carbonic acid, Diethyl carbonate ester, carbonic acid diethylester, Diethyl carbonate, 99%, SCHEMBL3673, WLN: 2OVO2, CHEMBL1533495, DIETHYL CARBONATE [INCI], NSC8849, CHEBI:173463, Tox21_200769, MFCD00009107, Diethyl carbonate, analytical standard, AKOS000120910, Diethyl carbonate, anhydrous, >=99%, FD60373, NCGC00091669-01, NCGC00091669-02, NCGC00258323-01, BP-21019, CAS-105-58-8, LS-13080, DB-029661, Diethyl carbonate, purum, >=98.0% (GC), NS00041201, Diethyl carbonate LBG-23605, LBG-23601, EN300-20788, D97668, Diethyl carbonate [UN2366] [Flammable liquid], Q420616, F0001-0109, Z104482516, Diethyl carbonate, >=99%, acid <10 ppm, H2O <10 ppm |
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| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 35.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Wax monoesters |
| Deep Smiles | CCOC=O)OCC |
| Heavy Atom Count | 8.0 |
| Classyfire Class | Organic carbonic acids and derivatives |
| Classyfire Subclass | Carbonic acid diesters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 62.1 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | diethyl carbonate |
| Class | Organic carbonic acids and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | 1.2 |
| Superclass | Organic acids and derivatives |
| Subclass | Carbonic acid diesters |
| Gsk 4 400 Rule | True |
| Molecular Formula | C5H10O3 |
| Inchi Key | OIFBSDVPJOWBCH-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | Diethyl carbonic acid, Ethyl carbonate, dicthyl carbonate, diethyl carbonate |
| Esol Class | Very soluble |
| Functional Groups | COC(=O)OC |
| Compound Name | Diethyl Carbonate |
| Kingdom | Organic compounds |
| Exact Mass | 118.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 118.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 118.13 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3 |
| Smiles | CCOC(=O)OCC |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Carbonic acid diesters |
| Np Classifier Superclass | Fatty esters |
- 1. Outgoing r'ship
FOUND_INto/from Dimocarpus Longan (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199607)11:4<223::aid-ffj579>3.0.co;2-b - 2. Outgoing r'ship
FOUND_INto/from Durio Zibethinus (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730100205 - 3. Outgoing r'ship
FOUND_INto/from Lawsonia Inermis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1995.9698554 - 4. Outgoing r'ship
FOUND_INto/from Paederia Foetida (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730090106