About [2-[1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-2-oxoethyl] 2,2-dimethylpropanoate;1-O-[2-[1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-2-oxoethyl] 5-O-(2-methyl-2-adamantyl) 3-O-(2-oxooxolan-3-yl) 6-[6-[1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-3-methyl-2-bicyclo[2.2.1]heptanyl]-1,1,3,5-tetramethylhexane-1,3,5-tricarboxylate;1-O-[2-[1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-2-oxoethyl] 5-O-(3-methyloxolan-3-yl) 3-O-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 1,1,3,5-tetramethyl-6-(3-methyl-2-bicyclo[2.2.1]heptanyl)hexane-1,3,5-tricarboxylate;1-O-(3-hydroxy-1-adamantyl) 5-O-(2-methyl-2-adamantyl) 3-O-(2-oxooxolan-3-yl) 7-O-(2-propan-2-yl-2-adamantyl) 1,1,3,5,7-pentamethyl-8-(3-methyl-2-bicyclo[2.2.1]heptanyl)octane-1,3,5,7-tetracarboxylate
[2-[1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-2-oxoethyl] 2,2-dimethylpropanoate;1-O-[2-[1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-2-oxoethyl] 5-O-(2-methyl-2-adamantyl) 3-O-(2-oxooxolan-3-yl) 6-[6-[1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-3-methyl-2-bicyclo[2.2.1]heptanyl]-1,1,3,5-tetramethylhexane-1,3,5-tricarboxylate;1-O-[2-[1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-2-oxoethyl] 5-O-(3-methyloxolan-3-yl) 3-O-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 1,1,3,5-tetramethyl-6-(3-methyl-2-bicyclo[2.2.1]heptanyl)hexane-1,3,5-tricarboxylate;1-O-(3-hydroxy-1-adamantyl) 5-O-(2-methyl-2-adamantyl) 3-O-(2-oxooxolan-3-yl) 7-O-(2-propan-2-yl-2-adamantyl) 1,1,3,5,7-pentamethyl-8-(3-methyl-2-bicyclo[2.2.1]heptanyl)octane-1,3,5,7-tetracarboxylate (PubChem CID 158413126) has the molecular formula C193H286O45
and a molecular weight of 3326.37 g/mol. Its IUPAC name is [2-[1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-2-oxoethyl] 2,2-dimethylpropanoate;1-O-[2-[1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-2-oxoethyl] 5-O-(2-methyl-2-adamantyl) 3-O-(2-oxooxolan-3-yl) 6-[6-[1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-3-methyl-2-bicyclo[2.2.1]heptanyl]-1,1,3,5-tetramethylhexane-1,3,5-tricarboxylate;1-O-[2-[1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-2-oxoethyl] 5-O-(3-methyloxolan-3-yl) 3-O-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 1,1,3,5-tetramethyl-6-(3-methyl-2-bicyclo[2.2.1]heptanyl)hexane-1,3,5-tricarboxylate;1-O-(3-hydroxy-1-adamantyl) 5-O-(2-methyl-2-adamantyl) 3-O-(2-oxooxolan-3-yl) 7-O-(2-propan-2-yl-2-adamantyl) 1,1,3,5,7-pentamethyl-8-(3-methyl-2-bicyclo[2.2.1]heptanyl)octane-1,3,5,7-tetracarboxylate.
Frequently Asked Questions
What is the IUPAC name of [2-[1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-2-oxoethyl] 2,2-dimethylpropanoate;1-O-[2-[1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-2-oxoethyl] 5-O-(2-methyl-2-adamantyl) 3-O-(2-oxooxolan-3-yl) 6-[6-[1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-3-methyl-2-bicyclo[2.2.1]heptanyl]-1,1,3,5-tetramethylhexane-1,3,5-tricarboxylate;1-O-[2-[1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-2-oxoethyl] 5-O-(3-methyloxolan-3-yl) 3-O-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 1,1,3,5-tetramethyl-6-(3-methyl-2-bicyclo[2.2.1]heptanyl)hexane-1,3,5-tricarboxylate;1-O-(3-hydroxy-1-adamantyl) 5-O-(2-methyl-2-adamantyl) 3-O-(2-oxooxolan-3-yl) 7-O-(2-propan-2-yl-2-adamantyl) 1,1,3,5,7-pentamethyl-8-(3-methyl-2-bicyclo[2.2.1]heptanyl)octane-1,3,5,7-tetracarboxylate?
The IUPAC name of [2-[1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-2-oxoethyl] 2,2-dimethylpropanoate;1-O-[2-[1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-2-oxoethyl] 5-O-(2-methyl-2-adamantyl) 3-O-(2-oxooxolan-3-yl) 6-[6-[1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-3-methyl-2-bicyclo[2.2.1]heptanyl]-1,1,3,5-tetramethylhexane-1,3,5-tricarboxylate;1-O-[2-[1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-2-oxoethyl] 5-O-(3-methyloxolan-3-yl) 3-O-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 1,1,3,5-tetramethyl-6-(3-methyl-2-bicyclo[2.2.1]heptanyl)hexane-1,3,5-tricarboxylate;1-O-(3-hydroxy-1-adamantyl) 5-O-(2-methyl-2-adamantyl) 3-O-(2-oxooxolan-3-yl) 7-O-(2-propan-2-yl-2-adamantyl) 1,1,3,5,7-pentamethyl-8-(3-methyl-2-bicyclo[2.2.1]heptanyl)octane-1,3,5,7-tetracarboxylate (CID 158413126) is [2-[1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-2-oxoethyl] 2,2-dimethylpropanoate;1-O-[2-[1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-2-oxoethyl] 5-O-(2-methyl-2-adamantyl) 3-O-(2-oxooxolan-3-yl) 6-[6-[1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-3-methyl-2-bicyclo[2.2.1]heptanyl]-1,1,3,5-tetramethylhexane-1,3,5-tricarboxylate;1-O-[2-[1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-2-oxoethyl] 5-O-(3-methyloxolan-3-yl) 3-O-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 1,1,3,5-tetramethyl-6-(3-methyl-2-bicyclo[2.2.1]heptanyl)hexane-1,3,5-tricarboxylate;1-O-(3-hydroxy-1-adamantyl) 5-O-(2-methyl-2-adamantyl) 3-O-(2-oxooxolan-3-yl) 7-O-(2-propan-2-yl-2-adamantyl) 1,1,3,5,7-pentamethyl-8-(3-methyl-2-bicyclo[2.2.1]heptanyl)octane-1,3,5,7-tetracarboxylate.
What is the SMILES notation for [2-[1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-2-oxoethyl] 2,2-dimethylpropanoate;1-O-[2-[1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-2-oxoethyl] 5-O-(2-methyl-2-adamantyl) 3-O-(2-oxooxolan-3-yl) 6-[6-[1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-3-methyl-2-bicyclo[2.2.1]heptanyl]-1,1,3,5-tetramethylhexane-1,3,5-tricarboxylate;1-O-[2-[1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-2-oxoethyl] 5-O-(3-methyloxolan-3-yl) 3-O-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 1,1,3,5-tetramethyl-6-(3-methyl-2-bicyclo[2.2.1]heptanyl)hexane-1,3,5-tricarboxylate;1-O-(3-hydroxy-1-adamantyl) 5-O-(2-methyl-2-adamantyl) 3-O-(2-oxooxolan-3-yl) 7-O-(2-propan-2-yl-2-adamantyl) 1,1,3,5,7-pentamethyl-8-(3-methyl-2-bicyclo[2.2.1]heptanyl)octane-1,3,5,7-tetracarboxylate?
The canonical SMILES for [2-[1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-2-oxoethyl] 2,2-dimethylpropanoate;1-O-[2-[1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-2-oxoethyl] 5-O-(2-methyl-2-adamantyl) 3-O-(2-oxooxolan-3-yl) 6-[6-[1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-3-methyl-2-bicyclo[2.2.1]heptanyl]-1,1,3,5-tetramethylhexane-1,3,5-tricarboxylate;1-O-[2-[1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-2-oxoethyl] 5-O-(3-methyloxolan-3-yl) 3-O-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 1,1,3,5-tetramethyl-6-(3-methyl-2-bicyclo[2.2.1]heptanyl)hexane-1,3,5-tricarboxylate;1-O-(3-hydroxy-1-adamantyl) 5-O-(2-methyl-2-adamantyl) 3-O-(2-oxooxolan-3-yl) 7-O-(2-propan-2-yl-2-adamantyl) 1,1,3,5,7-pentamethyl-8-(3-methyl-2-bicyclo[2.2.1]heptanyl)octane-1,3,5,7-tetracarboxylate is CC(C)(C)OC(=O)CC(OC(=O)COC(=O)C(C)(C)C)C1CC2C=CC1C2.CC1C2CC(C(O)CC(=O)OC(C)(C)C)C(C2)C1CC(C)(CC(C)(CC(C)(C)C(=O)OCC(=O)OC(CC(=O)OC(C)(C)C)C1CC2C=CC1C2)C(=O)OC1CCOC1=O)C(=O)OC1(C)C2CC3CC(C2)CC1C3.CC1C2CCC(C2)C1CC(C)(CC(C)(CC(C)(C)C(=O)OCC(=O)OC(CC(=O)OC(C)(C)C)C1CC2C=CC1C2)C(=O)OC1C2CC3C(=O)OC1C3C2)C(=O)OC1(C)CCOC1.CC1C2CCC(C2)C1CC(C)(CC(C)(CC(C)(CC(C)(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2)C(=O)OC1CCOC1=O)C(=O)OC1(C)C2CC3CC(C2)CC1C3)C(=O)OC1(C(C)C)C2CC3CC(C2)CC1C3.
What is the InChIKey of [2-[1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-2-oxoethyl] 2,2-dimethylpropanoate;1-O-[2-[1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-2-oxoethyl] 5-O-(2-methyl-2-adamantyl) 3-O-(2-oxooxolan-3-yl) 6-[6-[1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-3-methyl-2-bicyclo[2.2.1]heptanyl]-1,1,3,5-tetramethylhexane-1,3,5-tricarboxylate;1-O-[2-[1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-2-oxoethyl] 5-O-(3-methyloxolan-3-yl) 3-O-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 1,1,3,5-tetramethyl-6-(3-methyl-2-bicyclo[2.2.1]heptanyl)hexane-1,3,5-tricarboxylate;1-O-(3-hydroxy-1-adamantyl) 5-O-(2-methyl-2-adamantyl) 3-O-(2-oxooxolan-3-yl) 7-O-(2-propan-2-yl-2-adamantyl) 1,1,3,5,7-pentamethyl-8-(3-methyl-2-bicyclo[2.2.1]heptanyl)octane-1,3,5,7-tetracarboxylate?
The InChIKey is GZOBOINQFYXXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H94O11.C59H88O15.C50H72O13.C21H32O6/c1-35(2)63(47-21-39-15-40(23-47)24-48(63)22-39)74-54(67)57(6,30-49-36(3)43-10-11-44(49)25-43)32-59(8,55(68)72-60(9)45-17-37-14-38(19-45)20-46(60)18-37)33-58(7,53(66)71-50-12-13-70-51(50)64)31-56(4,5)52(65)73-62-28-41-16-42(29-62)27-61(69,26-41)34-62;1-32-37-24-41(42(25-37)44(60)26-47(61)72-54(2,3)4)43(32)28-57(10,53(67)74-59(12)38-19-34-17-35(21-38)22-39(59)20-34)31-58(11,52(66)71-45-15-16-68-50(45)64)30-56(8,9)51(65)69-29-49(63)70-46(27-48(62)73-55(5,6)7)40-23-33-13-14-36(40)18-33;1-27-29-12-13-31(18-29)36(27)22-48(7,45(56)63-50(9)14-15-57-26-50)25-49(8,44(55)61-40-32-19-34-35(20-32)42(53)60-41(34)40)24-47(5,6)43(54)58-23-39(52)59-37(21-38(51)62-46(2,3)4)33-17-28-10-11-30(33)16-28;1-20(2,3)19(24)25-12-18(23)26-16(11-17(22)27-21(4,5)6)15-10-13-7-8-14(15)9-13/h35-50,69H,10-34H2,1-9H3;13-14,32-46,60H,15-31H2,1-12H3;10-11,27-37,40-41H,12-26H2,1-9H3;7-8,13-16H,9-12H2,1-6H3.
What are the key properties of [2-[1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-2-oxoethyl] 2,2-dimethylpropanoate;1-O-[2-[1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-2-oxoethyl] 5-O-(2-methyl-2-adamantyl) 3-O-(2-oxooxolan-3-yl) 6-[6-[1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-3-methyl-2-bicyclo[2.2.1]heptanyl]-1,1,3,5-tetramethylhexane-1,3,5-tricarboxylate;1-O-[2-[1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-2-oxoethyl] 5-O-(3-methyloxolan-3-yl) 3-O-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 1,1,3,5-tetramethyl-6-(3-methyl-2-bicyclo[2.2.1]heptanyl)hexane-1,3,5-tricarboxylate;1-O-(3-hydroxy-1-adamantyl) 5-O-(2-methyl-2-adamantyl) 3-O-(2-oxooxolan-3-yl) 7-O-(2-propan-2-yl-2-adamantyl) 1,1,3,5,7-pentamethyl-8-(3-methyl-2-bicyclo[2.2.1]heptanyl)octane-1,3,5,7-tetracarboxylate?
[2-[1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-2-oxoethyl] 2,2-dimethylpropanoate;1-O-[2-[1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-2-oxoethyl] 5-O-(2-methyl-2-adamantyl) 3-O-(2-oxooxolan-3-yl) 6-[6-[1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-3-methyl-2-bicyclo[2.2.1]heptanyl]-1,1,3,5-tetramethylhexane-1,3,5-tricarboxylate;1-O-[2-[1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-2-oxoethyl] 5-O-(3-methyloxolan-3-yl) 3-O-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 1,1,3,5-tetramethyl-6-(3-methyl-2-bicyclo[2.2.1]heptanyl)hexane-1,3,5-tricarboxylate;1-O-(3-hydroxy-1-adamantyl) 5-O-(2-methyl-2-adamantyl) 3-O-(2-oxooxolan-3-yl) 7-O-(2-propan-2-yl-2-adamantyl) 1,1,3,5,7-pentamethyl-8-(3-methyl-2-bicyclo[2.2.1]heptanyl)octane-1,3,5,7-tetracarboxylate has a molecular weight of 3326.37 g/mol, XLogP of 32.05, 60 rotatable bonds, 2 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-2-oxoethyl] 2,2-dimethylpropanoate;1-O-[2-[1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-2-oxoethyl] 5-O-(2-methyl-2-adamantyl) 3-O-(2-oxooxolan-3-yl) 6-[6-[1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-3-methyl-2-bicyclo[2.2.1]heptanyl]-1,1,3,5-tetramethylhexane-1,3,5-tricarboxylate;1-O-[2-[1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-2-oxoethyl] 5-O-(3-methyloxolan-3-yl) 3-O-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 1,1,3,5-tetramethyl-6-(3-methyl-2-bicyclo[2.2.1]heptanyl)hexane-1,3,5-tricarboxylate;1-O-(3-hydroxy-1-adamantyl) 5-O-(2-methyl-2-adamantyl) 3-O-(2-oxooxolan-3-yl) 7-O-(2-propan-2-yl-2-adamantyl) 1,1,3,5,7-pentamethyl-8-(3-methyl-2-bicyclo[2.2.1]heptanyl)octane-1,3,5,7-tetracarboxylate is sourced from PubChem (CID 158413126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).