Dimethyl carbonate
PubChem CID: 12021
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| Compound Synonyms | Dimethyl carbonate, 616-38-6, Methyl carbonate, Carbonic acid, dimethyl ester, Methyl carbonate ((MeO)2CO), Carbonic Acid Dimethyl Ester, DIMETHYLCARBONATE, HSDB 6928, UNII-KE9J097SPN, NSC 9371, EINECS 210-478-4, KE9J097SPN, DTXSID9029192, CHEBI:36596, AI3-14705, CH3OCOOCH3, Dimethylcarbonate, 99%, NSC-9371, D.M.C., DTXCID609192, Dimethyl ester of carbonic acid, EC 210-478-4, CAS-616-38-6, UN1161, methoxyketone, dimethy carbonate, dim ethyl carbonate, MFCD00008420, Dimethyl carbonate-13C3, WLN: 1OVO1, Dimethyl carbonate [UN1161] [Flammable liquid], DIMETHYL CARBONATE [MI], CHEMBL3185216, Solifenacin Related Compound 17, DIMETHYL CARBONATE [HSDB], NSC9371, Carbonic acid dimethyl ester, 9CI, Tox21_201940, Tox21_303590, AKOS000121888, Dimethyl carbonate, analytical standard, Dimethyl carbonate, anhydrous, >=99%, FD34690, UN 1161, NCGC00249139-01, NCGC00257358-01, NCGC00259489-01, E242, Carbonic acid,di(methyl-d3) ester (6CI), Dimethyl carbonate, ReagentPlus(R), 99%, NS00041797, A833342, Dimethyl carbonate [UN1161] [Flammable liquid], Q416254, InChI=1/C3H6O3/c1-5-3(4)6-2/h1-2H, F1905-7139, Dimethyl carbonate, >=99.9%, acid <10 ppm, H2O <10 ppm, 210-478-4 |
|---|---|
| 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 | COC=O)OC |
| Heavy Atom Count | 6.0 |
| Classyfire Class | Organic carbonic acids and derivatives |
| Classyfire Subclass | Carbonic acid diesters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 44.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | dimethyl carbonate |
| Class | Organic carbonic acids and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | 0.5 |
| Superclass | Organic acids and derivatives |
| Subclass | Carbonic acid diesters |
| Gsk 4 400 Rule | True |
| Molecular Formula | C3H6O3 |
| Inchi Key | IEJIGPNLZYLLBP-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| State | Liquid |
| Synonyms | Carbonic acid, dimethyl ester, DMC, Methyl carbonate, Carbonate, dimethyl ester, Methyl carbonic acid, Dimethyl carbonic acid, Carbonic acid dimethyl ester, 9ci, CH3OCOOCH3, Dimethyl ester OF carbonic acid, e242, Methyl carbonate ((meo)2co), Methyl carbonate, 11C-labeled, Methyl carbonate, hexachloroantimonate (1-), Methyl carbonate, hexachloroantimonate (1-) (2:1), dimethyl carbonate |
| Esol Class | Very soluble |
| Functional Groups | COC(=O)OC |
| Compound Name | Dimethyl carbonate |
| Kingdom | Organic compounds |
| Exact Mass | 90.0317 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 90.0317 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 90.08 |
| 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/C3H6O3/c1-5-3(4)6-2/h1-2H3 |
| Smiles | COC(=O)OC |
| 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 Actinidia Arguta (Plant) Rel Props:Reference:https://doi.org/10.1016/s0031-9422(03)00142-0