About 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-yl 2,2-dimethylbutanoate;(6-cyano-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(2,2-dioxooxathiolan-3-yl) 2,2-dimethylbutanoate;(2,2-dioxooxathiolan-5-yl) 2,2-dimethylbutanoate;methyl 2,2-dimethylbutanoate;methyl 2-(2,2-dimethylbutanoyloxy)-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carboxylate;(9-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(4-methyl-2,2-dioxooxathian-4-yl) 2,2-dimethylbutanoate;4-oxa-3λ6-thiatricyclo[5.2.1.02,6]decane 3,3-dioxide
3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-yl 2,2-dimethylbutanoate;(6-cyano-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(2,2-dioxooxathiolan-3-yl) 2,2-dimethylbutanoate;(2,2-dioxooxathiolan-5-yl) 2,2-dimethylbutanoate;methyl 2,2-dimethylbutanoate;methyl 2-(2,2-dimethylbutanoyloxy)-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carboxylate;(9-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(4-methyl-2,2-dioxooxathian-4-yl) 2,2-dimethylbutanoate;4-oxa-3λ6-thiatricyclo[5.2.1.02,6]decane 3,3-dioxide (PubChem CID 158941770) has the molecular formula C140H225NO56S10
and a molecular weight of 3138.96 g/mol. Its IUPAC name is 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-yl 2,2-dimethylbutanoate;(6-cyano-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(2,2-dioxooxathiolan-3-yl) 2,2-dimethylbutanoate;(2,2-dioxooxathiolan-5-yl) 2,2-dimethylbutanoate;methyl 2,2-dimethylbutanoate;methyl 2-(2,2-dimethylbutanoyloxy)-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carboxylate;(9-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(4-methyl-2,2-dioxooxathian-4-yl) 2,2-dimethylbutanoate;4-oxa-3λ6-thiatricyclo[5.2.1.02,6]decane 3,3-dioxide.
Frequently Asked Questions
What is the IUPAC name of 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-yl 2,2-dimethylbutanoate;(6-cyano-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(2,2-dioxooxathiolan-3-yl) 2,2-dimethylbutanoate;(2,2-dioxooxathiolan-5-yl) 2,2-dimethylbutanoate;methyl 2,2-dimethylbutanoate;methyl 2-(2,2-dimethylbutanoyloxy)-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carboxylate;(9-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(4-methyl-2,2-dioxooxathian-4-yl) 2,2-dimethylbutanoate;4-oxa-3λ6-thiatricyclo[5.2.1.02,6]decane 3,3-dioxide?
The IUPAC name of 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-yl 2,2-dimethylbutanoate;(6-cyano-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(2,2-dioxooxathiolan-3-yl) 2,2-dimethylbutanoate;(2,2-dioxooxathiolan-5-yl) 2,2-dimethylbutanoate;methyl 2,2-dimethylbutanoate;methyl 2-(2,2-dimethylbutanoyloxy)-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carboxylate;(9-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(4-methyl-2,2-dioxooxathian-4-yl) 2,2-dimethylbutanoate;4-oxa-3λ6-thiatricyclo[5.2.1.02,6]decane 3,3-dioxide (CID 158941770) is 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-yl 2,2-dimethylbutanoate;(6-cyano-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(2,2-dioxooxathiolan-3-yl) 2,2-dimethylbutanoate;(2,2-dioxooxathiolan-5-yl) 2,2-dimethylbutanoate;methyl 2,2-dimethylbutanoate;methyl 2-(2,2-dimethylbutanoyloxy)-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carboxylate;(9-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(4-methyl-2,2-dioxooxathian-4-yl) 2,2-dimethylbutanoate;4-oxa-3λ6-thiatricyclo[5.2.1.02,6]decane 3,3-dioxide.
What is the SMILES notation for 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-yl 2,2-dimethylbutanoate;(6-cyano-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(2,2-dioxooxathiolan-3-yl) 2,2-dimethylbutanoate;(2,2-dioxooxathiolan-5-yl) 2,2-dimethylbutanoate;methyl 2,2-dimethylbutanoate;methyl 2-(2,2-dimethylbutanoyloxy)-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carboxylate;(9-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(4-methyl-2,2-dioxooxathian-4-yl) 2,2-dimethylbutanoate;4-oxa-3λ6-thiatricyclo[5.2.1.02,6]decane 3,3-dioxide?
The canonical SMILES for 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-yl 2,2-dimethylbutanoate;(6-cyano-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(2,2-dioxooxathiolan-3-yl) 2,2-dimethylbutanoate;(2,2-dioxooxathiolan-5-yl) 2,2-dimethylbutanoate;methyl 2,2-dimethylbutanoate;methyl 2-(2,2-dimethylbutanoyloxy)-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carboxylate;(9-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(4-methyl-2,2-dioxooxathian-4-yl) 2,2-dimethylbutanoate;4-oxa-3λ6-thiatricyclo[5.2.1.02,6]decane 3,3-dioxide is CCC(C)(C)C(=O)OC.CCC(C)(C)C(=O)OC1(C)CCOS(=O)(=O)C1.CCC(C)(C)C(=O)OC12CC3CC(C1)OS(=O)(=O)C(C3)C2.CCC(C)(C)C(=O)OC1C2CC3C(O2)C1OS3(=O)=O.CCC(C)(C)C(=O)OC1C2CC3C1OS(=O)(=O)C3(C#N)C2.CCC(C)(C)C(=O)OC1C2CC3C1OS(=O)(=O)C3C2.CCC(C)(C)C(=O)OC1C2CC3C1OS(=O)(=O)C3C2C.CCC(C)(C)C(=O)OC1C2CC3C1OS(=O)(=O)C3C2C(=O)OC.CCC(C)(C)C(=O)OC1CCOS1(=O)=O.CCC(C)(C)C(=O)OC1CCS(=O)(=O)O1.CCC(C)(C)C(=O)OC1COC2CCCC21.O=S1(=O)OCC2C3CCC(C3)C21.
What is the InChIKey of 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-yl 2,2-dimethylbutanoate;(6-cyano-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(2,2-dioxooxathiolan-3-yl) 2,2-dimethylbutanoate;(2,2-dioxooxathiolan-5-yl) 2,2-dimethylbutanoate;methyl 2,2-dimethylbutanoate;methyl 2-(2,2-dimethylbutanoyloxy)-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carboxylate;(9-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(4-methyl-2,2-dioxooxathian-4-yl) 2,2-dimethylbutanoate;4-oxa-3λ6-thiatricyclo[5.2.1.02,6]decane 3,3-dioxide?
The InChIKey is JKILELWMKIKPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O7S.C15H24O5S.C14H19NO5S.C14H22O5S.C13H20O5S.C13H22O3.C12H18O6S.C11H20O5S.2C9H16O5S.C8H12O3S.C7H14O2/c1-5-15(2,3)14(17)21-10-7-6-8-11(10)22-23(18,19)12(8)9(7)13(16)20-4;1-4-14(2,3)13(16)19-15-7-10-5-11(8-15)20-21(17,18)12(6-10)9-15;1-4-13(2,3)12(16)19-10-8-5-9-11(10)20-21(17,18)14(9,6-8)7-15;1-5-14(3,4)13(15)18-10-8-6-9-11(10)19-20(16,17)12(9)7(8)2;1-4-13(2,3)12(14)17-10-7-5-8-9(6-7)19(15,16)18-11(8)10;1-4-13(2,3)12(14)16-11-8-15-10-7-5-6-9(10)11;1-4-12(2,3)11(13)17-8-6-5-7-9(16-6)10(8)18-19(7,14)15;1-5-10(2,3)9(12)16-11(4)6-7-15-17(13,14)8-11;1-4-9(2,3)8(10)13-7-5-6-15(11,12)14-7;1-4-9(2,3)8(10)14-7-5-6-13-15(7,11)12;9-12(10)8-6-2-1-5(3-6)7(8)4-11-12;1-5-7(2,3)6(8)9-4/h7-12H,5-6H2,1-4H3;10-12H,4-9H2,1-3H3;8-11H,4-6H2,1-3H3;7-12H,5-6H2,1-4H3;7-11H,4-6H2,1-3H3;9-11H,4-8H2,1-3H3;6-10H,4-5H2,1-3H3;5-8H2,1-4H3;2*7H,4-6H2,1-3H3;5-8H,1-4H2;5H2,1-4H3.
What are the key properties of 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-yl 2,2-dimethylbutanoate;(6-cyano-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(2,2-dioxooxathiolan-3-yl) 2,2-dimethylbutanoate;(2,2-dioxooxathiolan-5-yl) 2,2-dimethylbutanoate;methyl 2,2-dimethylbutanoate;methyl 2-(2,2-dimethylbutanoyloxy)-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carboxylate;(9-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(4-methyl-2,2-dioxooxathian-4-yl) 2,2-dimethylbutanoate;4-oxa-3λ6-thiatricyclo[5.2.1.02,6]decane 3,3-dioxide?
3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-yl 2,2-dimethylbutanoate;(6-cyano-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(2,2-dioxooxathiolan-3-yl) 2,2-dimethylbutanoate;(2,2-dioxooxathiolan-5-yl) 2,2-dimethylbutanoate;methyl 2,2-dimethylbutanoate;methyl 2-(2,2-dimethylbutanoyloxy)-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carboxylate;(9-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(4-methyl-2,2-dioxooxathian-4-yl) 2,2-dimethylbutanoate;4-oxa-3λ6-thiatricyclo[5.2.1.02,6]decane 3,3-dioxide has a molecular weight of 3138.96 g/mol, XLogP of 16.87, 33 rotatable bonds, 0 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-yl 2,2-dimethylbutanoate;(6-cyano-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.3.1.13,8]undecan-1-yl) 2,2-dimethylbutanoate;(2,2-dioxooxathiolan-3-yl) 2,2-dimethylbutanoate;(2,2-dioxooxathiolan-5-yl) 2,2-dimethylbutanoate;methyl 2,2-dimethylbutanoate;methyl 2-(2,2-dimethylbutanoyloxy)-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carboxylate;(9-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(4-methyl-2,2-dioxooxathian-4-yl) 2,2-dimethylbutanoate;4-oxa-3λ6-thiatricyclo[5.2.1.02,6]decane 3,3-dioxide is sourced from PubChem (CID 158941770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).