Dimethyl Succinate
PubChem CID: 7820
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| Compound Synonyms | DIMETHYL SUCCINATE, 106-65-0, Dimethyl butanedioate, Dimethylsuccinate, Methyl succinate, Butanedioic acid, dimethyl ester, Succinic acid, dimethyl ester, Succinic acid dimethyl ester, DBE-4 dibasic ester, Methyl butanedioate, FEMA No. 2396, CCRIS 4803, HSDB 5370, 1,4-dimethyl butanedioate, EINECS 203-419-9, DBE-4, NSC 52209, Butanedioic acid, 1,4-dimethyl ester, Dimethyl ester of succinic acid, DTXSID5025152, UNII-914I2127JR, AI3-02480, CH3OC(O)CH2CH2C(O)OCH3, NSC-52209, 914I2127JR, DTXCID005152, DIMETHYL SUCCINATE [FCC], DIMETHYL SUCCINATE [FHFI], DIMETHYL SUCCINATE [HSDB], EC 203-419-9, SUCCINIC ACID DIMETHYL ESTER [MI], CAS-106-65-0, Succinic acid-dimethyl ester, MFCD00008466, dimethyl 1,4-butanedioate, DBE 4, SCHEMBL10213, MLS002454400, butanedioic acid dimethyl ester, DBE-4 dibasic ester, 98%, CHEMBL556489, Dimethyl succinate, 98%, FG, FEMA 2396, DIMETHYL SUCCINATE [INCI], CHEBI:165393, HMS2270G19, HY-Y0808, NSC52209, Tox21_202189, Tox21_300350, STL481902, AKOS000269071, Dimethyl succinate, analytical standard, NCGC00091530-01, NCGC00091530-02, NCGC00091530-03, NCGC00254517-01, NCGC00259738-01, LS-13155, SMR001253742, DB-059497, CS-0015787, Dimethyl succinate, purum, >=98.0% (GC), NS00007584, EN300-113007, Dimethyl succinate, Vetec(TM) reagent grade, 98%, doi:10.14272/MUXOBHXGJLMRAB-UHFFFAOYSA-N.1, Q27271375, F1905-7126, 203-419-9 |
|---|---|
| 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 | COC=O)CCC=O)OC |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Fatty acyls |
| Description | Present in roasted filberts. Flavouring ingredient. Dimethyl succinate is found in nuts. |
| Classyfire Subclass | Fatty acid esters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 114.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | dimethyl butanedioate |
| Class | Fatty Acyls |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 0.4 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty acid esters |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H10O4 |
| Inchi Key | MUXOBHXGJLMRAB-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 5.0 |
| State | Liquid |
| Synonyms | Butanedioic acid, 1,4-dimethyl ester, Butanedioic acid, dimethyl ester, CH3OC(O)CH2CH2C(O)OCH3, DBE-4, DBE-4 dibasic ester, Dimethyl butanedioate, Dimethyl ester of succinic acid, Dimethyl succinate, Dimethyl succinic acid, Dimethylsuccinate, FEMA 2396, Methyl butanedioate, Methyl succinate, Succinic acid dimethyl ester, Succinic acid, dimethyl ester, Dimethyl ester OF succinic acid, 1,4-Dimethyl butanedioic acid, dimethyl succinate |
| Esol Class | Very soluble |
| Functional Groups | COC(C)=O |
| Compound Name | Dimethyl Succinate |
| Kingdom | Organic compounds |
| 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 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C6H10O4/c1-9-5(7)3-4-6(8)10-2/h3-4H2,1-2H3 |
| Smiles | COC(=O)CCC(=O)OC |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Fatty acid methyl esters |
| Np Classifier Superclass | Fatty esters |
- 1. Outgoing r'ship
FOUND_INto/from Hierochloe Odorata (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730060108 - 2. Outgoing r'ship
FOUND_INto/from Spondias Mombin (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2005.9698933