2-(2-adamantyl)propan-2-yl 2-methylbutanoate;[4-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoro-4-hydroxy-2-methylpentan-2-yl] 2-methylbutanoate;[4-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoro-4-hydroxypentan-2-yl] 2,2-dimethylbutanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(3-hydroxy-1-adamantyl) 2-methylbutanoate;bis((2-methyl-2-adamantyl) 2,2-dimethylbutanoate);(1-methylcyclopentyl) 2,2-dimethylbutanoate;bis([1,1,1,3,3,5,5,5-octafluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-yl] 2,2-dimethylbutanoate);bis((5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate

C232H344F42O49 — CID 157129164

IUPAC2-(2-adamantyl)propan-2-yl 2-methylbutanoate;[4-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoro-4-hydroxy-2-methylpentan-2-yl] 2-methylbutanoate;[4-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoro-4-hydroxypentan-2-yl] 2,2-dimethylbutanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(3-hydroxy-1-adamantyl) 2-methylbutanoate;bis((2-methyl-2-adamantyl) 2,2-dimethylbutanoate);(1-methylcyclopentyl) 2,2-dimethylbutanoate;bis([1,1,1,3,3,5,5,5-octafluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-yl] 2,2-dimethylbutanoate);bis((5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate
SMILESCCC(C)(C)C(=O)OC(C(F)(F)F)C(F)(F)C(O)(C(F)(F)F)C(F)(F)F.CCC(C)(C)C(=O)OC(C(F)(F)F)C(F)(F)C(O)(C(F)(F)F)C(F)(F)F.CCC(C)(C)C(=O)OC(C(F)(F)F)C(F)(F)C(O)(C(F)F)C(F)(F)F.CCC(C)(C)C(=O)OC1(C)C2CC3CC(C2)CC1C3.CCC(C)(C)C(=O)OC1(C)C2CC3CC(C2)CC1C3.CCC(C)(C)C(=O)OC1(C)CCCC1.CCC(C)(C)C(=O)OC1(CC)CC2CC1C1C3CCC(C3)C21.CCC(C)(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.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)OC1C3O2.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3O2.CCC(C)C(=O)OC(C)(C(F)(F)F)C(F)(F)C(O)(C(F)F)C(F)(F)F.CCC(C)C(=O)OC(C)(C)C1C2CC3CC(C2)CC1C3.CCC(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC(C)C(=O)OC1C2CC3C(=O)OC1C3C2
InChIInChI=1S/C20H32O2.C18H30O2.2C17H28O2.2C16H26O3.C15H24O3.C14H20O4.2C13H18O5.C13H18O4.2C12H13F11O3.2C12H14F10O3.C12H22O2/c1-5-19(3,4)18(21)22-20(6-2)11-14-10-15(20)17-13-8-7-12(9-13)16(14)17;1-5-11(2)17(19)20-18(3,4)16-14-7-12-6-13(9-14)10-15(16)8-12;2*1-5-16(2,3)15(18)19-17(4)13-7-11-6-12(9-13)10-14(17)8-11;2*1-4-14(2,3)13(17)19-16-8-11-5-12(9-16)7-15(18,6-11)10-16;1-3-10(2)13(16)18-15-7-11-4-12(8-15)6-14(17,5-11)9-15;1-4-14(2,3)13(16)18-10-7-5-8-9(6-7)12(15)17-11(8)10;2*1-4-13(2,3)12(15)18-9-7-5-6-8(16-7)10(9)17-11(6)14;1-3-6(2)12(14)16-10-7-4-8-9(5-7)13(15)17-11(8)10;2*1-4-7(2,3)6(24)26-5(9(15,16)17)8(13,14)10(25,11(18,19)20)12(21,22)23;1-4-8(2,3)7(23)25-5(11(17,18)19)10(15,16)9(24,6(13)14)12(20,21)22;1-4-5(2)6(23)25-8(3,11(17,18)19)10(15,16)9(24,7(13)14)12(20,21)22;1-5-11(2,3)10(13)14-12(4)8-6-7-9-12/h12-17H,5-11H2,1-4H3;11-16H,5-10H2,1-4H3;2*11-14H,5-10H2,1-4H3;2*11-12,18H,4-10H2,1-3H3;10-12,17H,3-9H2,1-2H3;7-11H,4-6H2,1-3H3;2*6-10H,4-5H2,1-3H3;6-11H,3-5H2,1-2H3;2*5,25H,4H2,1-3H3;5-6,24H,4H2,1-3H3;5,7,24H,4H2,1-3H3;5-9H2,1-4H3
InChIKeyAIVWHRHDBAVSGS-UHFFFAOYSA-N
MW4715.17 g/mol
LogP52.15
Rot. Bonds60

About 2-(2-adamantyl)propan-2-yl 2-methylbutanoate;[4-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoro-4-hydroxy-2-methylpentan-2-yl] 2-methylbutanoate;[4-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoro-4-hydroxypentan-2-yl] 2,2-dimethylbutanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(3-hydroxy-1-adamantyl) 2-methylbutanoate;bis((2-methyl-2-adamantyl) 2,2-dimethylbutanoate);(1-methylcyclopentyl) 2,2-dimethylbutanoate;bis([1,1,1,3,3,5,5,5-octafluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-yl] 2,2-dimethylbutanoate);bis((5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate

2-(2-adamantyl)propan-2-yl 2-methylbutanoate;[4-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoro-4-hydroxy-2-methylpentan-2-yl] 2-methylbutanoate;[4-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoro-4-hydroxypentan-2-yl] 2,2-dimethylbutanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(3-hydroxy-1-adamantyl) 2-methylbutanoate;bis((2-methyl-2-adamantyl) 2,2-dimethylbutanoate);(1-methylcyclopentyl) 2,2-dimethylbutanoate;bis([1,1,1,3,3,5,5,5-octafluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-yl] 2,2-dimethylbutanoate);bis((5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate (PubChem CID 157129164) has the molecular formula C232H344F42O49 and a molecular weight of 4715.17 g/mol. Its IUPAC name is 2-(2-adamantyl)propan-2-yl 2-methylbutanoate;[4-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoro-4-hydroxy-2-methylpentan-2-yl] 2-methylbutanoate;[4-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoro-4-hydroxypentan-2-yl] 2,2-dimethylbutanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(3-hydroxy-1-adamantyl) 2-methylbutanoate;bis((2-methyl-2-adamantyl) 2,2-dimethylbutanoate);(1-methylcyclopentyl) 2,2-dimethylbutanoate;bis([1,1,1,3,3,5,5,5-octafluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-yl] 2,2-dimethylbutanoate);bis((5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate.

Molecular Properties

Compound Name2-(2-adamantyl)propan-2-yl 2-methylbutanoate;[4-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoro-4-hydroxy-2-methylpentan-2-yl] 2-methylbutanoate;[4-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoro-4-hydroxypentan-2-yl] 2,2-dimethylbutanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(3-hydroxy-1-adamantyl) 2-methylbutanoate;bis((2-methyl-2-adamantyl) 2,2-dimethylbutanoate);(1-methylcyclopentyl) 2,2-dimethylbutanoate;bis([1,1,1,3,3,5,5,5-octafluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-yl] 2,2-dimethylbutanoate);bis((5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate
PubChem CID157129164
Molecular FormulaC232H344F42O49
Molecular Weight4715.17 g/mol
Exact Mass4712.38
IUPAC Name2-(2-adamantyl)propan-2-yl 2-methylbutanoate;[4-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoro-4-hydroxy-2-methylpentan-2-yl] 2-methylbutanoate;[4-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoro-4-hydroxypentan-2-yl] 2,2-dimethylbutanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(3-hydroxy-1-adamantyl) 2-methylbutanoate;bis((2-methyl-2-adamantyl) 2,2-dimethylbutanoate);(1-methylcyclopentyl) 2,2-dimethylbutanoate;bis([1,1,1,3,3,5,5,5-octafluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-yl] 2,2-dimethylbutanoate);bis((5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate
SMILESCCC(C)(C)C(=O)OC(C(F)(F)F)C(F)(F)C(O)(C(F)(F)F)C(F)(F)F.CCC(C)(C)C(=O)OC(C(F)(F)F)C(F)(F)C(O)(C(F)(F)F)C(F)(F)F.CCC(C)(C)C(=O)OC(C(F)(F)F)C(F)(F)C(O)(C(F)F)C(F)(F)F.CCC(C)(C)C(=O)OC1(C)C2CC3CC(C2)CC1C3.CCC(C)(C)C(=O)OC1(C)C2CC3CC(C2)CC1C3.CCC(C)(C)C(=O)OC1(C)CCCC1.CCC(C)(C)C(=O)OC1(CC)CC2CC1C1C3CCC(C3)C21.CCC(C)(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.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)OC1C3O2.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3O2.CCC(C)C(=O)OC(C)(C(F)(F)F)C(F)(F)C(O)(C(F)F)C(F)(F)F.CCC(C)C(=O)OC(C)(C)C1C2CC3CC(C2)CC1C3.CCC(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC(C)C(=O)OC1C2CC3C(=O)OC1C3C2
InChIInChI=1S/C20H32O2.C18H30O2.2C17H28O2.2C16H26O3.C15H24O3.C14H20O4.2C13H18O5.C13H18O4.2C12H13F11O3.2C12H14F10O3.C12H22O2/c1-5-19(3,4)18(21)22-20(6-2)11-14-10-15(20)17-13-8-7-12(9-13)16(14)17;1-5-11(2)17(19)20-18(3,4)16-14-7-12-6-13(9-14)10-15(16)8-12;2*1-5-16(2,3)15(18)19-17(4)13-7-11-6-12(9-13)10-14(17)8-11;2*1-4-14(2,3)13(17)19-16-8-11-5-12(9-16)7-15(18,6-11)10-16;1-3-10(2)13(16)18-15-7-11-4-12(8-15)6-14(17,5-11)9-15;1-4-14(2,3)13(16)18-10-7-5-8-9(6-7)12(15)17-11(8)10;2*1-4-13(2,3)12(15)18-9-7-5-6-8(16-7)10(9)17-11(6)14;1-3-6(2)12(14)16-10-7-4-8-9(5-7)13(15)17-11(8)10;2*1-4-7(2,3)6(24)26-5(9(15,16)17)8(13,14)10(25,11(18,19)20)12(21,22)23;1-4-8(2,3)7(23)25-5(11(17,18)19)10(15,16)9(24,6(13)14)12(20,21)22;1-4-5(2)6(23)25-8(3,11(17,18)19)10(15,16)9(24,7(13)14)12(20,21)22;1-5-11(2,3)10(13)14-12(4)8-6-7-9-12/h12-17H,5-11H2,1-4H3;11-16H,5-10H2,1-4H3;2*11-14H,5-10H2,1-4H3;2*11-12,18H,4-10H2,1-3H3;10-12,17H,3-9H2,1-2H3;7-11H,4-6H2,1-3H3;2*6-10H,4-5H2,1-3H3;6-11H,3-5H2,1-2H3;2*5,25H,4H2,1-3H3;5-6,24H,4H2,1-3H3;5,7,24H,4H2,1-3H3;5-9H2,1-4H3
InChIKeyAIVWHRHDBAVSGS-UHFFFAOYSA-N
XLogP52.15
TPSA686.07 Ų
H-Bond Donors7
H-Bond Acceptors49
Rotatable Bonds60
Heavy Atoms323
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004715.17
LogP ≤ 552.15
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1049

Analyze 2-(2-adamantyl)propan-2-yl 2-methylbutanoate;[4-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoro-4-hydroxy-2-methylpentan-2-yl] 2-methylbutanoate;[4-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoro-4-hydroxypentan-2-yl] 2,2-dimethylbutanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(3-hydroxy-1-adamantyl) 2-methylbutanoate;bis((2-methyl-2-adamantyl) 2,2-dimethylbutanoate);(1-methylcyclopentyl) 2,2-dimethylbutanoate;bis([1,1,1,3,3,5,5,5-octafluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-yl] 2,2-dimethylbutanoate);bis((5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-adamantyl)propan-2-yl 2-methylbutanoate;[4-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoro-4-hydroxy-2-methylpentan-2-yl] 2-methylbutanoate;[4-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoro-4-hydroxypentan-2-yl] 2,2-dimethylbutanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(3-hydroxy-1-adamantyl) 2-methylbutanoate;bis((2-methyl-2-adamantyl) 2,2-dimethylbutanoate);(1-methylcyclopentyl) 2,2-dimethylbutanoate;bis([1,1,1,3,3,5,5,5-octafluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-yl] 2,2-dimethylbutanoate);bis((5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate?
The IUPAC name of 2-(2-adamantyl)propan-2-yl 2-methylbutanoate;[4-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoro-4-hydroxy-2-methylpentan-2-yl] 2-methylbutanoate;[4-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoro-4-hydroxypentan-2-yl] 2,2-dimethylbutanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(3-hydroxy-1-adamantyl) 2-methylbutanoate;bis((2-methyl-2-adamantyl) 2,2-dimethylbutanoate);(1-methylcyclopentyl) 2,2-dimethylbutanoate;bis([1,1,1,3,3,5,5,5-octafluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-yl] 2,2-dimethylbutanoate);bis((5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate (CID 157129164) is 2-(2-adamantyl)propan-2-yl 2-methylbutanoate;[4-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoro-4-hydroxy-2-methylpentan-2-yl] 2-methylbutanoate;[4-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoro-4-hydroxypentan-2-yl] 2,2-dimethylbutanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(3-hydroxy-1-adamantyl) 2-methylbutanoate;bis((2-methyl-2-adamantyl) 2,2-dimethylbutanoate);(1-methylcyclopentyl) 2,2-dimethylbutanoate;bis([1,1,1,3,3,5,5,5-octafluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-yl] 2,2-dimethylbutanoate);bis((5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate.
What is the SMILES notation for 2-(2-adamantyl)propan-2-yl 2-methylbutanoate;[4-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoro-4-hydroxy-2-methylpentan-2-yl] 2-methylbutanoate;[4-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoro-4-hydroxypentan-2-yl] 2,2-dimethylbutanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(3-hydroxy-1-adamantyl) 2-methylbutanoate;bis((2-methyl-2-adamantyl) 2,2-dimethylbutanoate);(1-methylcyclopentyl) 2,2-dimethylbutanoate;bis([1,1,1,3,3,5,5,5-octafluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-yl] 2,2-dimethylbutanoate);bis((5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate?
The canonical SMILES for 2-(2-adamantyl)propan-2-yl 2-methylbutanoate;[4-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoro-4-hydroxy-2-methylpentan-2-yl] 2-methylbutanoate;[4-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoro-4-hydroxypentan-2-yl] 2,2-dimethylbutanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(3-hydroxy-1-adamantyl) 2-methylbutanoate;bis((2-methyl-2-adamantyl) 2,2-dimethylbutanoate);(1-methylcyclopentyl) 2,2-dimethylbutanoate;bis([1,1,1,3,3,5,5,5-octafluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-yl] 2,2-dimethylbutanoate);bis((5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate is CCC(C)(C)C(=O)OC(C(F)(F)F)C(F)(F)C(O)(C(F)(F)F)C(F)(F)F.CCC(C)(C)C(=O)OC(C(F)(F)F)C(F)(F)C(O)(C(F)(F)F)C(F)(F)F.CCC(C)(C)C(=O)OC(C(F)(F)F)C(F)(F)C(O)(C(F)F)C(F)(F)F.CCC(C)(C)C(=O)OC1(C)C2CC3CC(C2)CC1C3.CCC(C)(C)C(=O)OC1(C)C2CC3CC(C2)CC1C3.CCC(C)(C)C(=O)OC1(C)CCCC1.CCC(C)(C)C(=O)OC1(CC)CC2CC1C1C3CCC(C3)C21.CCC(C)(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.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)OC1C3O2.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3O2.CCC(C)C(=O)OC(C)(C(F)(F)F)C(F)(F)C(O)(C(F)F)C(F)(F)F.CCC(C)C(=O)OC(C)(C)C1C2CC3CC(C2)CC1C3.CCC(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC(C)C(=O)OC1C2CC3C(=O)OC1C3C2.
What is the InChIKey of 2-(2-adamantyl)propan-2-yl 2-methylbutanoate;[4-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoro-4-hydroxy-2-methylpentan-2-yl] 2-methylbutanoate;[4-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoro-4-hydroxypentan-2-yl] 2,2-dimethylbutanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(3-hydroxy-1-adamantyl) 2-methylbutanoate;bis((2-methyl-2-adamantyl) 2,2-dimethylbutanoate);(1-methylcyclopentyl) 2,2-dimethylbutanoate;bis([1,1,1,3,3,5,5,5-octafluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-yl] 2,2-dimethylbutanoate);bis((5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate?
The InChIKey is AIVWHRHDBAVSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O2.C18H30O2.2C17H28O2.2C16H26O3.C15H24O3.C14H20O4.2C13H18O5.C13H18O4.2C12H13F11O3.2C12H14F10O3.C12H22O2/c1-5-19(3,4)18(21)22-20(6-2)11-14-10-15(20)17-13-8-7-12(9-13)16(14)17;1-5-11(2)17(19)20-18(3,4)16-14-7-12-6-13(9-14)10-15(16)8-12;2*1-5-16(2,3)15(18)19-17(4)13-7-11-6-12(9-13)10-14(17)8-11;2*1-4-14(2,3)13(17)19-16-8-11-5-12(9-16)7-15(18,6-11)10-16;1-3-10(2)13(16)18-15-7-11-4-12(8-15)6-14(17,5-11)9-15;1-4-14(2,3)13(16)18-10-7-5-8-9(6-7)12(15)17-11(8)10;2*1-4-13(2,3)12(15)18-9-7-5-6-8(16-7)10(9)17-11(6)14;1-3-6(2)12(14)16-10-7-4-8-9(5-7)13(15)17-11(8)10;2*1-4-7(2,3)6(24)26-5(9(15,16)17)8(13,14)10(25,11(18,19)20)12(21,22)23;1-4-8(2,3)7(23)25-5(11(17,18)19)10(15,16)9(24,6(13)14)12(20,21)22;1-4-5(2)6(23)25-8(3,11(17,18)19)10(15,16)9(24,7(13)14)12(20,21)22;1-5-11(2,3)10(13)14-12(4)8-6-7-9-12/h12-17H,5-11H2,1-4H3;11-16H,5-10H2,1-4H3;2*11-14H,5-10H2,1-4H3;2*11-12,18H,4-10H2,1-3H3;10-12,17H,3-9H2,1-2H3;7-11H,4-6H2,1-3H3;2*6-10H,4-5H2,1-3H3;6-11H,3-5H2,1-2H3;2*5,25H,4H2,1-3H3;5-6,24H,4H2,1-3H3;5,7,24H,4H2,1-3H3;5-9H2,1-4H3.
What are the key properties of 2-(2-adamantyl)propan-2-yl 2-methylbutanoate;[4-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoro-4-hydroxy-2-methylpentan-2-yl] 2-methylbutanoate;[4-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoro-4-hydroxypentan-2-yl] 2,2-dimethylbutanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(3-hydroxy-1-adamantyl) 2-methylbutanoate;bis((2-methyl-2-adamantyl) 2,2-dimethylbutanoate);(1-methylcyclopentyl) 2,2-dimethylbutanoate;bis([1,1,1,3,3,5,5,5-octafluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-yl] 2,2-dimethylbutanoate);bis((5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate?
2-(2-adamantyl)propan-2-yl 2-methylbutanoate;[4-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoro-4-hydroxy-2-methylpentan-2-yl] 2-methylbutanoate;[4-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoro-4-hydroxypentan-2-yl] 2,2-dimethylbutanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(3-hydroxy-1-adamantyl) 2-methylbutanoate;bis((2-methyl-2-adamantyl) 2,2-dimethylbutanoate);(1-methylcyclopentyl) 2,2-dimethylbutanoate;bis([1,1,1,3,3,5,5,5-octafluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-yl] 2,2-dimethylbutanoate);bis((5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate has a molecular weight of 4715.17 g/mol, XLogP of 52.15, 60 rotatable bonds, 7 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-adamantyl)propan-2-yl 2-methylbutanoate;[4-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoro-4-hydroxy-2-methylpentan-2-yl] 2-methylbutanoate;[4-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoro-4-hydroxypentan-2-yl] 2,2-dimethylbutanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);(3-hydroxy-1-adamantyl) 2-methylbutanoate;bis((2-methyl-2-adamantyl) 2,2-dimethylbutanoate);(1-methylcyclopentyl) 2,2-dimethylbutanoate;bis([1,1,1,3,3,5,5,5-octafluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-yl] 2,2-dimethylbutanoate);bis((5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate is sourced from PubChem (CID 157129164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).