tetrakis(4-butan-2-ylphenol);tris((1-cyclohexyloxy-3,3-dimethylbutyl) 2,2-dimethylbutanoate);(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;bis((1-ethylcyclopentyl) 2,2-dimethylbutanoate);(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;[3-(2-methylbutan-2-yloxycarbonyloxy)-1-adamantyl] 2,2-dimethylbutanoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;tetrakis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate)

C237H384O51S — CID 159545093

IUPACtetrakis(4-butan-2-ylphenol);tris((1-cyclohexyloxy-3,3-dimethylbutyl) 2,2-dimethylbutanoate);(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;bis((1-ethylcyclopentyl) 2,2-dimethylbutanoate);(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;[3-(2-methylbutan-2-yloxycarbonyloxy)-1-adamantyl] 2,2-dimethylbutanoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;tetrakis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate)
SMILESCCC(C)(C)C(=O)OC(CC(C)(C)C)OC1CCCCC1.CCC(C)(C)C(=O)OC(CC(C)(C)C)OC1CCCCC1.CCC(C)(C)C(=O)OC(CC(C)(C)C)OC1CCCCC1.CCC(C)(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OC1C2CC3C1OS(=O)(=O)C3C2.CCC(C)(C)C(=O)OCC1COC(=O)O1.CCC(C)(C)OC(=O)OC12CC3CC(C1)CC(OC(=O)C(C)(C)CC)(C3)C2.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC1(OC(=O)C(C)(C)CC)CCCC1.CCC1(OC(=O)C(C)(C)CC)CCCC1
InChIInChI=1S/C22H36O5.3C18H34O3.C16H26O3.4C14H20O4.C13H20O5S.2C13H24O2.C10H16O5.4C10H14O/c1-7-19(3,4)17(23)25-21-10-15-9-16(11-21)13-22(12-15,14-21)27-18(24)26-20(5,6)8-2;3*1-7-18(5,6)16(19)21-15(13-17(2,3)4)20-14-11-9-8-10-12-14;1-4-14(2,3)13(17)19-16-8-11-5-12(9-16)7-15(18,6-11)10-16;4*1-4-14(2,3)13(16)18-10-7-5-8-9(6-7)12(15)17-11(8)10;1-4-13(2,3)12(14)17-10-7-5-8-9(6-7)19(15,16)18-11(8)10;2*1-5-12(3,4)11(14)15-13(6-2)9-7-8-10-13;1-4-10(2,3)8(11)13-5-7-6-14-9(12)15-7;4*1-3-8(2)9-4-6-10(11)7-5-9/h15-16H,7-14H2,1-6H3;3*14-15H,7-13H2,1-6H3;11-12,18H,4-10H2,1-3H3;4*7-11H,4-6H2,1-3H3;7-11H,4-6H2,1-3H3;2*5-10H2,1-4H3;7H,4-6H2,1-3H3;4*4-8,11H,3H2,1-2H3
InChIKeyMERVULWQEBNNRG-UHFFFAOYSA-N
MW4081.69 g/mol
LogP53.32
Rot. Bonds62

About tetrakis(4-butan-2-ylphenol);tris((1-cyclohexyloxy-3,3-dimethylbutyl) 2,2-dimethylbutanoate);(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;bis((1-ethylcyclopentyl) 2,2-dimethylbutanoate);(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;[3-(2-methylbutan-2-yloxycarbonyloxy)-1-adamantyl] 2,2-dimethylbutanoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;tetrakis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate)

tetrakis(4-butan-2-ylphenol);tris((1-cyclohexyloxy-3,3-dimethylbutyl) 2,2-dimethylbutanoate);(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;bis((1-ethylcyclopentyl) 2,2-dimethylbutanoate);(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;[3-(2-methylbutan-2-yloxycarbonyloxy)-1-adamantyl] 2,2-dimethylbutanoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;tetrakis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate) (PubChem CID 159545093) has the molecular formula C237H384O51S and a molecular weight of 4081.69 g/mol. Its IUPAC name is tetrakis(4-butan-2-ylphenol);tris((1-cyclohexyloxy-3,3-dimethylbutyl) 2,2-dimethylbutanoate);(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;bis((1-ethylcyclopentyl) 2,2-dimethylbutanoate);(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;[3-(2-methylbutan-2-yloxycarbonyloxy)-1-adamantyl] 2,2-dimethylbutanoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;tetrakis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate).

Molecular Properties

Compound Nametetrakis(4-butan-2-ylphenol);tris((1-cyclohexyloxy-3,3-dimethylbutyl) 2,2-dimethylbutanoate);(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;bis((1-ethylcyclopentyl) 2,2-dimethylbutanoate);(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;[3-(2-methylbutan-2-yloxycarbonyloxy)-1-adamantyl] 2,2-dimethylbutanoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;tetrakis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate)
PubChem CID159545093
Molecular FormulaC237H384O51S
Molecular Weight4081.69 g/mol
Exact Mass4078.72
IUPAC Nametetrakis(4-butan-2-ylphenol);tris((1-cyclohexyloxy-3,3-dimethylbutyl) 2,2-dimethylbutanoate);(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;bis((1-ethylcyclopentyl) 2,2-dimethylbutanoate);(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;[3-(2-methylbutan-2-yloxycarbonyloxy)-1-adamantyl] 2,2-dimethylbutanoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;tetrakis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate)
SMILESCCC(C)(C)C(=O)OC(CC(C)(C)C)OC1CCCCC1.CCC(C)(C)C(=O)OC(CC(C)(C)C)OC1CCCCC1.CCC(C)(C)C(=O)OC(CC(C)(C)C)OC1CCCCC1.CCC(C)(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OC1C2CC3C1OS(=O)(=O)C3C2.CCC(C)(C)C(=O)OCC1COC(=O)O1.CCC(C)(C)OC(=O)OC12CC3CC(C1)CC(OC(=O)C(C)(C)CC)(C3)C2.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC1(OC(=O)C(C)(C)CC)CCCC1.CCC1(OC(=O)C(C)(C)CC)CCCC1
InChIInChI=1S/C22H36O5.3C18H34O3.C16H26O3.4C14H20O4.C13H20O5S.2C13H24O2.C10H16O5.4C10H14O/c1-7-19(3,4)17(23)25-21-10-15-9-16(11-21)13-22(12-15,14-21)27-18(24)26-20(5,6)8-2;3*1-7-18(5,6)16(19)21-15(13-17(2,3)4)20-14-11-9-8-10-12-14;1-4-14(2,3)13(17)19-16-8-11-5-12(9-16)7-15(18,6-11)10-16;4*1-4-14(2,3)13(16)18-10-7-5-8-9(6-7)12(15)17-11(8)10;1-4-13(2,3)12(14)17-10-7-5-8-9(6-7)19(15,16)18-11(8)10;2*1-5-12(3,4)11(14)15-13(6-2)9-7-8-10-13;1-4-10(2,3)8(11)13-5-7-6-14-9(12)15-7;4*1-3-8(2)9-4-6-10(11)7-5-9/h15-16H,7-14H2,1-6H3;3*14-15H,7-13H2,1-6H3;11-12,18H,4-10H2,1-3H3;4*7-11H,4-6H2,1-3H3;7-11H,4-6H2,1-3H3;2*5-10H2,1-4H3;7H,4-6H2,1-3H3;4*4-8,11H,3H2,1-2H3
InChIKeyMERVULWQEBNNRG-UHFFFAOYSA-N
XLogP53.32
TPSA690.37 Ų
H-Bond Donors5
H-Bond Acceptors51
Rotatable Bonds62
Heavy Atoms289
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004081.69
LogP ≤ 553.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1051

Analyze tetrakis(4-butan-2-ylphenol);tris((1-cyclohexyloxy-3,3-dimethylbutyl) 2,2-dimethylbutanoate);(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;bis((1-ethylcyclopentyl) 2,2-dimethylbutanoate);(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;[3-(2-methylbutan-2-yloxycarbonyloxy)-1-adamantyl] 2,2-dimethylbutanoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;tetrakis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate) with MolForge

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Frequently Asked Questions

What is the IUPAC name of tetrakis(4-butan-2-ylphenol);tris((1-cyclohexyloxy-3,3-dimethylbutyl) 2,2-dimethylbutanoate);(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;bis((1-ethylcyclopentyl) 2,2-dimethylbutanoate);(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;[3-(2-methylbutan-2-yloxycarbonyloxy)-1-adamantyl] 2,2-dimethylbutanoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;tetrakis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate)?
The IUPAC name of tetrakis(4-butan-2-ylphenol);tris((1-cyclohexyloxy-3,3-dimethylbutyl) 2,2-dimethylbutanoate);(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;bis((1-ethylcyclopentyl) 2,2-dimethylbutanoate);(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;[3-(2-methylbutan-2-yloxycarbonyloxy)-1-adamantyl] 2,2-dimethylbutanoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;tetrakis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate) (CID 159545093) is tetrakis(4-butan-2-ylphenol);tris((1-cyclohexyloxy-3,3-dimethylbutyl) 2,2-dimethylbutanoate);(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;bis((1-ethylcyclopentyl) 2,2-dimethylbutanoate);(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;[3-(2-methylbutan-2-yloxycarbonyloxy)-1-adamantyl] 2,2-dimethylbutanoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;tetrakis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate).
What is the SMILES notation for tetrakis(4-butan-2-ylphenol);tris((1-cyclohexyloxy-3,3-dimethylbutyl) 2,2-dimethylbutanoate);(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;bis((1-ethylcyclopentyl) 2,2-dimethylbutanoate);(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;[3-(2-methylbutan-2-yloxycarbonyloxy)-1-adamantyl] 2,2-dimethylbutanoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;tetrakis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate)?
The canonical SMILES for tetrakis(4-butan-2-ylphenol);tris((1-cyclohexyloxy-3,3-dimethylbutyl) 2,2-dimethylbutanoate);(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;bis((1-ethylcyclopentyl) 2,2-dimethylbutanoate);(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;[3-(2-methylbutan-2-yloxycarbonyloxy)-1-adamantyl] 2,2-dimethylbutanoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;tetrakis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate) is CCC(C)(C)C(=O)OC(CC(C)(C)C)OC1CCCCC1.CCC(C)(C)C(=O)OC(CC(C)(C)C)OC1CCCCC1.CCC(C)(C)C(=O)OC(CC(C)(C)C)OC1CCCCC1.CCC(C)(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OC1C2CC3C1OS(=O)(=O)C3C2.CCC(C)(C)C(=O)OCC1COC(=O)O1.CCC(C)(C)OC(=O)OC12CC3CC(C1)CC(OC(=O)C(C)(C)CC)(C3)C2.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC1(OC(=O)C(C)(C)CC)CCCC1.CCC1(OC(=O)C(C)(C)CC)CCCC1.
What is the InChIKey of tetrakis(4-butan-2-ylphenol);tris((1-cyclohexyloxy-3,3-dimethylbutyl) 2,2-dimethylbutanoate);(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;bis((1-ethylcyclopentyl) 2,2-dimethylbutanoate);(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;[3-(2-methylbutan-2-yloxycarbonyloxy)-1-adamantyl] 2,2-dimethylbutanoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;tetrakis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate)?
The InChIKey is MERVULWQEBNNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36O5.3C18H34O3.C16H26O3.4C14H20O4.C13H20O5S.2C13H24O2.C10H16O5.4C10H14O/c1-7-19(3,4)17(23)25-21-10-15-9-16(11-21)13-22(12-15,14-21)27-18(24)26-20(5,6)8-2;3*1-7-18(5,6)16(19)21-15(13-17(2,3)4)20-14-11-9-8-10-12-14;1-4-14(2,3)13(17)19-16-8-11-5-12(9-16)7-15(18,6-11)10-16;4*1-4-14(2,3)13(16)18-10-7-5-8-9(6-7)12(15)17-11(8)10;1-4-13(2,3)12(14)17-10-7-5-8-9(6-7)19(15,16)18-11(8)10;2*1-5-12(3,4)11(14)15-13(6-2)9-7-8-10-13;1-4-10(2,3)8(11)13-5-7-6-14-9(12)15-7;4*1-3-8(2)9-4-6-10(11)7-5-9/h15-16H,7-14H2,1-6H3;3*14-15H,7-13H2,1-6H3;11-12,18H,4-10H2,1-3H3;4*7-11H,4-6H2,1-3H3;7-11H,4-6H2,1-3H3;2*5-10H2,1-4H3;7H,4-6H2,1-3H3;4*4-8,11H,3H2,1-2H3.
What are the key properties of tetrakis(4-butan-2-ylphenol);tris((1-cyclohexyloxy-3,3-dimethylbutyl) 2,2-dimethylbutanoate);(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;bis((1-ethylcyclopentyl) 2,2-dimethylbutanoate);(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;[3-(2-methylbutan-2-yloxycarbonyloxy)-1-adamantyl] 2,2-dimethylbutanoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;tetrakis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate)?
tetrakis(4-butan-2-ylphenol);tris((1-cyclohexyloxy-3,3-dimethylbutyl) 2,2-dimethylbutanoate);(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;bis((1-ethylcyclopentyl) 2,2-dimethylbutanoate);(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;[3-(2-methylbutan-2-yloxycarbonyloxy)-1-adamantyl] 2,2-dimethylbutanoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;tetrakis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate) has a molecular weight of 4081.69 g/mol, XLogP of 53.32, 62 rotatable bonds, 5 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(4-butan-2-ylphenol);tris((1-cyclohexyloxy-3,3-dimethylbutyl) 2,2-dimethylbutanoate);(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;bis((1-ethylcyclopentyl) 2,2-dimethylbutanoate);(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;[3-(2-methylbutan-2-yloxycarbonyloxy)-1-adamantyl] 2,2-dimethylbutanoate;(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;tetrakis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate) is sourced from PubChem (CID 159545093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).