Drug Information
General Information of This Drug
| Drug ID | DRG00118 | |||||
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| Drug Name | Diethyl squarate | |||||
| Synonyms |
3,4-Diethoxy-3-cyclobutene-1,2-dione; 5231-87-8; Diethyl squarate; 3,4-diethoxycyclobut-3-ene-1,2-dione; Squaric acid diethyl ester; 3-Cyclobutene-1,2-dione, 3,4-diethoxy-; diethoxycyclobut-3-ene-1,2-dione; 1,2-diethoxycyclobutenedione; MFCD00001333; Diethoxycyclobutenedione; 3,4-Diethoxy-cyclobut-3-ene-1,2-dione; SCHEMBL94221; DFSFLZCLKYZYRD-UHFFFAOYSA-; DTXSID30200334; 1,2-diethoxycyclobutene-3,4-dione; 3,4-diethoxy-3-cyclobuten-1,2-dion; AKOS015905438; 3,4-diethoxy-3-cyclobuten-1,2-dione; CS-W004755; PS-4470; 3,4-diethoxy-3 cyclobutene-1,2-dione; 3.4-diethoxy-3-cyclobutene-1,2-dione; 3,4-diethyoxy-3-cyclobutene-1,2-dione; 3,4,-diethoxy-3-cyclobutene-1,2-dione; AC-22926; BP-13098; SY013529; DB-006276; AM20100287; D3253; FT-0600794; 3,4-Diethoxy-3-cyclobutene-1,2-dione, 98%; EN300-215540; A829027; J-511148; 3 pound not4-Diethoxy-3-cyclobutene-1 pound not2-dione; 3,4-diethoxycyclobut-3-ene-1,2-dione;Diethyl squarate; InChI=1/C8H10O4/c1-3-11-7-5(9)6(10)8(7)12-4-2/h3-4H2,1-2H3; Diethyl squarate; 3,4-Diethoxycyclobut-3-ene-1,2-dione; 3:4-diethoxycyclobut-3-ene-1:2-dione
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| Structure |
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| Formula |
C8H10O4
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| #Ro5 Violations (Lipinski): 0 | Molecular Weight (mw) | 170.16 | ||||
| Lipid-water partition coefficient (xlogp) | 0.7 | |||||
| Hydrogen Bond Donor Count (hbonddonor) | 0 | |||||
| Hydrogen Bond Acceptor Count (hbondacc) | 4 | |||||
| Rotatable Bond Count (rotbonds) | 4 | |||||
| PubChem CID | ||||||
| Canonical smiles |
CCOC1=C(C(=O)C1=O)OCC
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| InChI |
InChI=1S/C8H10O4/c1-3-11-7-5(9)6(10)8(7)12-4-2/h3-4H2,1-2H3
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| InChIKey |
DFSFLZCLKYZYRD-UHFFFAOYSA-N
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| IUPAC Name |
3,4-diethoxycyclobut-3-ene-1,2-dione
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