About (3,5-dioxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;(3,5-dioxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[[5-oxo-6-(3-oxobutanoyl)-4-oxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]ethyl] 2,2-dimethylbutanoate
(3,5-dioxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;(3,5-dioxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[[5-oxo-6-(3-oxobutanoyl)-4-oxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]ethyl] 2,2-dimethylbutanoate (PubChem CID 159776596) has the molecular formula C122H170O46S2
and a molecular weight of 2436.79 g/mol. Its IUPAC name is (3,5-dioxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;(3,5-dioxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[[5-oxo-6-(3-oxobutanoyl)-4-oxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]ethyl] 2,2-dimethylbutanoate.
Frequently Asked Questions
What is the IUPAC name of (3,5-dioxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;(3,5-dioxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[[5-oxo-6-(3-oxobutanoyl)-4-oxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]ethyl] 2,2-dimethylbutanoate?
The IUPAC name of (3,5-dioxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;(3,5-dioxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[[5-oxo-6-(3-oxobutanoyl)-4-oxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]ethyl] 2,2-dimethylbutanoate (CID 159776596) is (3,5-dioxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;(3,5-dioxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[[5-oxo-6-(3-oxobutanoyl)-4-oxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]ethyl] 2,2-dimethylbutanoate.
What is the SMILES notation for (3,5-dioxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;(3,5-dioxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[[5-oxo-6-(3-oxobutanoyl)-4-oxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]ethyl] 2,2-dimethylbutanoate?
The canonical SMILES for (3,5-dioxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;(3,5-dioxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[[5-oxo-6-(3-oxobutanoyl)-4-oxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]ethyl] 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC1C2CC3C1OS(=O)(=O)C3C2.CCC(C)(C)C(=O)OC1CC2CC1C1C(=O)OC(=O)C21.CCC(C)(C)C(=O)OC1CC2CC1C1C(=O)OCC21.CCC(C)(C)C(=O)OC1CC2OC1C1C(=O)OC(=O)C21.CCC(C)(C)C(=O)OC1CC2OC1C1C(=O)OCC21.CCC(C)(C)C(=O)OCC(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OCC(=O)OC1C2CC3C1OC(=O)C3(C(=O)CC(C)=O)C2.CCC(C)(C)C(=O)OCC(=O)OC1C2CC3C1OS(=O)(=O)C3C2.
What is the InChIKey of (3,5-dioxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;(3,5-dioxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[[5-oxo-6-(3-oxobutanoyl)-4-oxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]ethyl] 2,2-dimethylbutanoate?
The InChIKey is NGVALJMXGWJSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O8.C16H22O6.C15H22O7S.C15H20O5.C15H22O4.C14H18O6.C14H20O5.C13H20O5S/c1-5-19(3,4)17(24)26-9-14(23)27-15-11-7-12-16(15)28-18(25)20(12,8-11)13(22)6-10(2)21;1-4-16(2,3)15(19)20-7-11(17)21-12-8-5-9-10(6-8)14(18)22-13(9)12;1-4-15(2,3)14(17)20-7-11(16)21-12-8-5-9-10(6-8)23(18,19)22-13(9)12;1-4-15(2,3)14(18)19-9-6-7-5-8(9)11-10(7)12(16)20-13(11)17;1-4-15(2,3)14(17)19-11-6-8-5-9(11)12-10(8)7-18-13(12)16;1-4-14(2,3)13(17)19-7-5-6-8-9(10(7)18-6)12(16)20-11(8)15;1-4-14(2,3)13(16)19-9-5-8-7-6-17-12(15)10(7)11(9)18-8;1-4-13(2,3)12(14)17-10-7-5-8-9(6-7)19(15,16)18-11(8)10/h11-12,15-16H,5-9H2,1-4H3;8-10,12-13H,4-7H2,1-3H3;8-10,12-13H,4-7H2,1-3H3;7-11H,4-6H2,1-3H3;8-12H,4-7H2,1-3H3;6-10H,4-5H2,1-3H3;2*7-11H,4-6H2,1-3H3.
What are the key properties of (3,5-dioxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;(3,5-dioxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[[5-oxo-6-(3-oxobutanoyl)-4-oxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]ethyl] 2,2-dimethylbutanoate?
(3,5-dioxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;(3,5-dioxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[[5-oxo-6-(3-oxobutanoyl)-4-oxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]ethyl] 2,2-dimethylbutanoate has a molecular weight of 2436.79 g/mol, XLogP of 11.29, 33 rotatable bonds, 0 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dioxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;[2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;(3,5-dioxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(5-oxo-4,10-dioxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate;[2-oxo-2-[[5-oxo-6-(3-oxobutanoyl)-4-oxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]ethyl] 2,2-dimethylbutanoate is sourced from PubChem (CID 159776596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).