1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1-(2-bicyclo[2.2.1]heptanyloxy)ethyl 2-methylprop-2-enoate;2-[3-[1-(4-ethenylphenoxy)ethoxy]adamantane-1-carbonyl]oxy-1,1-difluoroethanesulfonate;bis(2-[[3-[1-(4-ethenylphenoxy)ethoxy]-1-adamantyl]oxy]-1,1-difluoro-2-oxoethanesulfonate);2-[3-[1-(4-ethenylphenoxy)ethoxy]-1-adamantyl]-1,1,3,3,3-pentafluoropropane-1-sulfonate;bis(1-methoxyethyl 2-methylprop-2-enoate);1,1,3,3,3-pentafluoro-2-[4-methyl-4-(2-methylprop-2-enoyloxy)-1-adamantyl]propane-1-sulfonate;tetracyclo[6.2.1.13,6.02,7]dodecane;tris(1,1,2,2-tetrafluoropropane-1-sulfonate)

C166H214F28O49S8-8 — CID 158932579

About 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1-(2-bicyclo[2.2.1]heptanyloxy)ethyl 2-methylprop-2-enoate;2-[3-[1-(4-ethenylphenoxy)ethoxy]adamantane-1-carbonyl]oxy-1,1-difluoroethanesulfonate;bis(2-[[3-[1-(4-ethenylphenoxy)ethoxy]-1-adamantyl]oxy]-1,1-difluoro-2-oxoethanesulfonate);2-[3-[1-(4-ethenylphenoxy)ethoxy]-1-adamantyl]-1,1,3,3,3-pentafluoropropane-1-sulfonate;bis(1-methoxyethyl 2-methylprop-2-enoate);1,1,3,3,3-pentafluoro-2-[4-methyl-4-(2-methylprop-2-enoyloxy)-1-adamantyl]propane-1-sulfonate;tetracyclo[6.2.1.13,6.02,7]dodecane;tris(1,1,2,2-tetrafluoropropane-1-sulfonate)

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1-(2-bicyclo[2.2.1]heptanyloxy)ethyl 2-methylprop-2-enoate;2-[3-[1-(4-ethenylphenoxy)ethoxy]adamantane-1-carbonyl]oxy-1,1-difluoroethanesulfonate;bis(2-[[3-[1-(4-ethenylphenoxy)ethoxy]-1-adamantyl]oxy]-1,1-difluoro-2-oxoethanesulfonate);2-[3-[1-(4-ethenylphenoxy)ethoxy]-1-adamantyl]-1,1,3,3,3-pentafluoropropane-1-sulfonate;bis(1-methoxyethyl 2-methylprop-2-enoate);1,1,3,3,3-pentafluoro-2-[4-methyl-4-(2-methylprop-2-enoyloxy)-1-adamantyl]propane-1-sulfonate;tetracyclo[6.2.1.13,6.02,7]dodecane;tris(1,1,2,2-tetrafluoropropane-1-sulfonate) (PubChem CID 158932579) has the molecular formula C166H214F28O49S8-8 and a molecular weight of 3781.97 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1-(2-bicyclo[2.2.1]heptanyloxy)ethyl 2-methylprop-2-enoate;2-[3-[1-(4-ethenylphenoxy)ethoxy]adamantane-1-carbonyl]oxy-1,1-difluoroethanesulfonate;bis(2-[[3-[1-(4-ethenylphenoxy)ethoxy]-1-adamantyl]oxy]-1,1-difluoro-2-oxoethanesulfonate);2-[3-[1-(4-ethenylphenoxy)ethoxy]-1-adamantyl]-1,1,3,3,3-pentafluoropropane-1-sulfonate;bis(1-methoxyethyl 2-methylprop-2-enoate);1,1,3,3,3-pentafluoro-2-[4-methyl-4-(2-methylprop-2-enoyloxy)-1-adamantyl]propane-1-sulfonate;tetracyclo[6.2.1.13,6.02,7]dodecane;tris(1,1,2,2-tetrafluoropropane-1-sulfonate).

Molecular Properties

• Compound Name: 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1-(2-bicyclo[2.2.1]heptanyloxy)ethyl 2-methylprop-2-enoate;2-[3-[1-(4-ethenylphenoxy)ethoxy]adamantane-1-carbonyl]oxy-1,1-difluoroethanesulfonate;bis(2-[[3-[1-(4-ethenylphenoxy)ethoxy]-1-adamantyl]oxy]-1,1-difluoro-2-oxoethanesulfonate);2-[3-[1-(4-ethenylphenoxy)ethoxy]-1-adamantyl]-1,1,3,3,3-pentafluoropropane-1-sulfonate;bis(1-methoxyethyl 2-methylprop-2-enoate);1,1,3,3,3-pentafluoro-2-[4-methyl-4-(2-methylprop-2-enoyloxy)-1-adamantyl]propane-1-sulfonate;tetracyclo[6.2.1.13,6.02,7]dodecane;tris(1,1,2,2-tetrafluoropropane-1-sulfonate)
• PubChem CID: 158932579
• Molecular Formula: C166H214F28O49S8-8
• Molecular Weight: 3781.97 g/mol
• Exact Mass: 3779.16
• IUPAC Name: 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1-(2-bicyclo[2.2.1]heptanyloxy)ethyl 2-methylprop-2-enoate;2-[3-[1-(4-ethenylphenoxy)ethoxy]adamantane-1-carbonyl]oxy-1,1-difluoroethanesulfonate;bis(2-[[3-[1-(4-ethenylphenoxy)ethoxy]-1-adamantyl]oxy]-1,1-difluoro-2-oxoethanesulfonate);2-[3-[1-(4-ethenylphenoxy)ethoxy]-1-adamantyl]-1,1,3,3,3-pentafluoropropane-1-sulfonate;bis(1-methoxyethyl 2-methylprop-2-enoate);1,1,3,3,3-pentafluoro-2-[4-methyl-4-(2-methylprop-2-enoyloxy)-1-adamantyl]propane-1-sulfonate;tetracyclo[6.2.1.13,6.02,7]dodecane;tris(1,1,2,2-tetrafluoropropane-1-sulfonate)
• SMILES: C1CC2CC1C1C3CCC(C3)C21.C1CCC2CCCCC2C1.C=C(C)C(=O)OC(C)OC.C=C(C)C(=O)OC(C)OC.C=C(C)C(=O)OC(C)OC1CC2CCC1C2.C=C(C)C(=O)OC1(C)C2CC3CC1CC(C(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])(C3)C2.C=Cc1ccc(OC(C)OC23CC4CC(C2)CC(C(=O)OCC(F)(F)S(=O)(=O)[O-])(C4)C3)cc1.C=Cc1ccc(OC(C)OC23CC4CC(C2)CC(C(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])(C4)C3)cc1.C=Cc1ccc(OC(C)OC23CC4CC(CC(OC(=O)C(F)(F)S(=O)(=O)[O-])(C4)C2)C3)cc1.C=Cc1ccc(OC(C)OC23CC4CC(CC(OC(=O)C(F)(F)S(=O)(=O)[O-])(C4)C2)C3)cc1.CC(F)(F)C(F)(F)S(=O)(=O)[O-].CC(F)(F)C(F)(F)S(=O)(=O)[O-].CC(F)(F)C(F)(F)S(=O)(=O)[O-]
• InChI: InChI=1S/C23H27F5O5S.C23H28F2O7S.2C22H26F2O7S.C18H23F5O5S.C13H20O3.C12H18.C10H18.2C7H12O3.3C3H4F4O3S/c1-3-15-4-6-18(7-5-15)32-14(2)33-21-11-16-8-17(12-21)10-20(9-16,13-21)19(22(24,25)26)23(27,28)34(29,30)31;1-3-16-4-6-19(7-5-16)31-15(2)32-22-11-17-8-18(12-22)10-21(9-17,13-22)20(26)30-14-23(24,25)33(27,28)29;2*1-3-15-4-6-18(7-5-15)29-14(2)30-20-9-16-8-17(10-20)12-21(11-16,13-20)31-19(25)22(23,24)32(26,27)28;1-9(2)13(24)28-15(3)11-4-10-5-12(15)8-16(6-10,7-11)14(17(19,20)21)18(22,23)29(25,26)27;1-8(2)13(14)16-9(3)15-12-7-10-4-5-11(12)6-10;1-2-8-5-7(1)11-9-3-4-10(6-9)12(8)11;1-2-6-10-8-4-3-7-9(10)5-1;2*1-5(2)7(8)10-6(3)9-4;3*1-2(4,5)3(6,7)11(8,9)10/h3-7,14,16-17,19H,1,8-13H2,2H3,(H,29,30,31);3-7,15,17-18H,1,8-14H2,2H3,(H,27,28,29);2*3-7,14,16-17H,1,8-13H2,2H3,(H,26,27,28);10-12,14H,1,4-8H2,2-3H3,(H,25,26,27);9-12H,1,4-7H2,2-3H3;7-12H,1-6H2;9-10H,1-8H2;2*6H,1H2,2-4H3;3*1H3,(H,8,9,10)/p-8
• InChIKey: JJGDKMISWMTSSD-UHFFFAOYSA-F
• XLogP: 35.15
• TPSA: 743.23 Ų
• H-Bond Acceptors: 49
• Rotatable Bonds: 54
• Heavy Atoms: 251
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3781.97
LogP ≤ 5	35.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	49

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1-(2-bicyclo[2.2.1]heptanyloxy)ethyl 2-methylprop-2-enoate;2-[3-[1-(4-ethenylphenoxy)ethoxy]adamantane-1-carbonyl]oxy-1,1-difluoroethanesulfonate;bis(2-[[3-[1-(4-ethenylphenoxy)ethoxy]-1-adamantyl]oxy]-1,1-difluoro-2-oxoethanesulfonate);2-[3-[1-(4-ethenylphenoxy)ethoxy]-1-adamantyl]-1,1,3,3,3-pentafluoropropane-1-sulfonate;bis(1-methoxyethyl 2-methylprop-2-enoate);1,1,3,3,3-pentafluoro-2-[4-methyl-4-(2-methylprop-2-enoyloxy)-1-adamantyl]propane-1-sulfonate;tetracyclo[6.2.1.13,6.02,7]dodecane;tris(1,1,2,2-tetrafluoropropane-1-sulfonate)?

The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1-(2-bicyclo[2.2.1]heptanyloxy)ethyl 2-methylprop-2-enoate;2-[3-[1-(4-ethenylphenoxy)ethoxy]adamantane-1-carbonyl]oxy-1,1-difluoroethanesulfonate;bis(2-[[3-[1-(4-ethenylphenoxy)ethoxy]-1-adamantyl]oxy]-1,1-difluoro-2-oxoethanesulfonate);2-[3-[1-(4-ethenylphenoxy)ethoxy]-1-adamantyl]-1,1,3,3,3-pentafluoropropane-1-sulfonate;bis(1-methoxyethyl 2-methylprop-2-enoate);1,1,3,3,3-pentafluoro-2-[4-methyl-4-(2-methylprop-2-enoyloxy)-1-adamantyl]propane-1-sulfonate;tetracyclo[6.2.1.13,6.02,7]dodecane;tris(1,1,2,2-tetrafluoropropane-1-sulfonate) (CID 158932579) is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1-(2-bicyclo[2.2.1]heptanyloxy)ethyl 2-methylprop-2-enoate;2-[3-[1-(4-ethenylphenoxy)ethoxy]adamantane-1-carbonyl]oxy-1,1-difluoroethanesulfonate;bis(2-[[3-[1-(4-ethenylphenoxy)ethoxy]-1-adamantyl]oxy]-1,1-difluoro-2-oxoethanesulfonate);2-[3-[1-(4-ethenylphenoxy)ethoxy]-1-adamantyl]-1,1,3,3,3-pentafluoropropane-1-sulfonate;bis(1-methoxyethyl 2-methylprop-2-enoate);1,1,3,3,3-pentafluoro-2-[4-methyl-4-(2-methylprop-2-enoyloxy)-1-adamantyl]propane-1-sulfonate;tetracyclo[6.2.1.13,6.02,7]dodecane;tris(1,1,2,2-tetrafluoropropane-1-sulfonate).

What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1-(2-bicyclo[2.2.1]heptanyloxy)ethyl 2-methylprop-2-enoate;2-[3-[1-(4-ethenylphenoxy)ethoxy]adamantane-1-carbonyl]oxy-1,1-difluoroethanesulfonate;bis(2-[[3-[1-(4-ethenylphenoxy)ethoxy]-1-adamantyl]oxy]-1,1-difluoro-2-oxoethanesulfonate);2-[3-[1-(4-ethenylphenoxy)ethoxy]-1-adamantyl]-1,1,3,3,3-pentafluoropropane-1-sulfonate;bis(1-methoxyethyl 2-methylprop-2-enoate);1,1,3,3,3-pentafluoro-2-[4-methyl-4-(2-methylprop-2-enoyloxy)-1-adamantyl]propane-1-sulfonate;tetracyclo[6.2.1.13,6.02,7]dodecane;tris(1,1,2,2-tetrafluoropropane-1-sulfonate)?

The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1-(2-bicyclo[2.2.1]heptanyloxy)ethyl 2-methylprop-2-enoate;2-[3-[1-(4-ethenylphenoxy)ethoxy]adamantane-1-carbonyl]oxy-1,1-difluoroethanesulfonate;bis(2-[[3-[1-(4-ethenylphenoxy)ethoxy]-1-adamantyl]oxy]-1,1-difluoro-2-oxoethanesulfonate);2-[3-[1-(4-ethenylphenoxy)ethoxy]-1-adamantyl]-1,1,3,3,3-pentafluoropropane-1-sulfonate;bis(1-methoxyethyl 2-methylprop-2-enoate);1,1,3,3,3-pentafluoro-2-[4-methyl-4-(2-methylprop-2-enoyloxy)-1-adamantyl]propane-1-sulfonate;tetracyclo[6.2.1.13,6.02,7]dodecane;tris(1,1,2,2-tetrafluoropropane-1-sulfonate) is C1CC2CC1C1C3CCC(C3)C21.C1CCC2CCCCC2C1.C=C(C)C(=O)OC(C)OC.C=C(C)C(=O)OC(C)OC.C=C(C)C(=O)OC(C)OC1CC2CCC1C2.C=C(C)C(=O)OC1(C)C2CC3CC1CC(C(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])(C3)C2.C=Cc1ccc(OC(C)OC23CC4CC(C2)CC(C(=O)OCC(F)(F)S(=O)(=O)[O-])(C4)C3)cc1.C=Cc1ccc(OC(C)OC23CC4CC(C2)CC(C(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])(C4)C3)cc1.C=Cc1ccc(OC(C)OC23CC4CC(CC(OC(=O)C(F)(F)S(=O)(=O)[O-])(C4)C2)C3)cc1.C=Cc1ccc(OC(C)OC23CC4CC(CC(OC(=O)C(F)(F)S(=O)(=O)[O-])(C4)C2)C3)cc1.CC(F)(F)C(F)(F)S(=O)(=O)[O-].CC(F)(F)C(F)(F)S(=O)(=O)[O-].CC(F)(F)C(F)(F)S(=O)(=O)[O-].

What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1-(2-bicyclo[2.2.1]heptanyloxy)ethyl 2-methylprop-2-enoate;2-[3-[1-(4-ethenylphenoxy)ethoxy]adamantane-1-carbonyl]oxy-1,1-difluoroethanesulfonate;bis(2-[[3-[1-(4-ethenylphenoxy)ethoxy]-1-adamantyl]oxy]-1,1-difluoro-2-oxoethanesulfonate);2-[3-[1-(4-ethenylphenoxy)ethoxy]-1-adamantyl]-1,1,3,3,3-pentafluoropropane-1-sulfonate;bis(1-methoxyethyl 2-methylprop-2-enoate);1,1,3,3,3-pentafluoro-2-[4-methyl-4-(2-methylprop-2-enoyloxy)-1-adamantyl]propane-1-sulfonate;tetracyclo[6.2.1.13,6.02,7]dodecane;tris(1,1,2,2-tetrafluoropropane-1-sulfonate)?

The InChIKey is JJGDKMISWMTSSD-UHFFFAOYSA-F. The full InChI is InChI=1S/C23H27F5O5S.C23H28F2O7S.2C22H26F2O7S.C18H23F5O5S.C13H20O3.C12H18.C10H18.2C7H12O3.3C3H4F4O3S/c1-3-15-4-6-18(7-5-15)32-14(2)33-21-11-16-8-17(12-21)10-20(9-16,13-21)19(22(24,25)26)23(27,28)34(29,30)31;1-3-16-4-6-19(7-5-16)31-15(2)32-22-11-17-8-18(12-22)10-21(9-17,13-22)20(26)30-14-23(24,25)33(27,28)29;2*1-3-15-4-6-18(7-5-15)29-14(2)30-20-9-16-8-17(10-20)12-21(11-16,13-20)31-19(25)22(23,24)32(26,27)28;1-9(2)13(24)28-15(3)11-4-10-5-12(15)8-16(6-10,7-11)14(17(19,20)21)18(22,23)29(25,26)27;1-8(2)13(14)16-9(3)15-12-7-10-4-5-11(12)6-10;1-2-8-5-7(1)11-9-3-4-10(6-9)12(8)11;1-2-6-10-8-4-3-7-9(10)5-1;2*1-5(2)7(8)10-6(3)9-4;3*1-2(4,5)3(6,7)11(8,9)10/h3-7,14,16-17,19H,1,8-13H2,2H3,(H,29,30,31);3-7,15,17-18H,1,8-14H2,2H3,(H,27,28,29);2*3-7,14,16-17H,1,8-13H2,2H3,(H,26,27,28);10-12,14H,1,4-8H2,2-3H3,(H,25,26,27);9-12H,1,4-7H2,2-3H3;7-12H,1-6H2;9-10H,1-8H2;2*6H,1H2,2-4H3;3*1H3,(H,8,9,10)/p-8.

What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1-(2-bicyclo[2.2.1]heptanyloxy)ethyl 2-methylprop-2-enoate;2-[3-[1-(4-ethenylphenoxy)ethoxy]adamantane-1-carbonyl]oxy-1,1-difluoroethanesulfonate;bis(2-[[3-[1-(4-ethenylphenoxy)ethoxy]-1-adamantyl]oxy]-1,1-difluoro-2-oxoethanesulfonate);2-[3-[1-(4-ethenylphenoxy)ethoxy]-1-adamantyl]-1,1,3,3,3-pentafluoropropane-1-sulfonate;bis(1-methoxyethyl 2-methylprop-2-enoate);1,1,3,3,3-pentafluoro-2-[4-methyl-4-(2-methylprop-2-enoyloxy)-1-adamantyl]propane-1-sulfonate;tetracyclo[6.2.1.13,6.02,7]dodecane;tris(1,1,2,2-tetrafluoropropane-1-sulfonate)?

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1-(2-bicyclo[2.2.1]heptanyloxy)ethyl 2-methylprop-2-enoate;2-[3-[1-(4-ethenylphenoxy)ethoxy]adamantane-1-carbonyl]oxy-1,1-difluoroethanesulfonate;bis(2-[[3-[1-(4-ethenylphenoxy)ethoxy]-1-adamantyl]oxy]-1,1-difluoro-2-oxoethanesulfonate);2-[3-[1-(4-ethenylphenoxy)ethoxy]-1-adamantyl]-1,1,3,3,3-pentafluoropropane-1-sulfonate;bis(1-methoxyethyl 2-methylprop-2-enoate);1,1,3,3,3-pentafluoro-2-[4-methyl-4-(2-methylprop-2-enoyloxy)-1-adamantyl]propane-1-sulfonate;tetracyclo[6.2.1.13,6.02,7]dodecane;tris(1,1,2,2-tetrafluoropropane-1-sulfonate) has a molecular weight of 3781.97 g/mol, XLogP of 35.15, 54 rotatable bonds, 0 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1-(2-bicyclo[2.2.1]heptanyloxy)ethyl 2-methylprop-2-enoate;2-[3-[1-(4-ethenylphenoxy)ethoxy]adamantane-1-carbonyl]oxy-1,1-difluoroethanesulfonate;bis(2-[[3-[1-(4-ethenylphenoxy)ethoxy]-1-adamantyl]oxy]-1,1-difluoro-2-oxoethanesulfonate);2-[3-[1-(4-ethenylphenoxy)ethoxy]-1-adamantyl]-1,1,3,3,3-pentafluoropropane-1-sulfonate;bis(1-methoxyethyl 2-methylprop-2-enoate);1,1,3,3,3-pentafluoro-2-[4-methyl-4-(2-methylprop-2-enoyloxy)-1-adamantyl]propane-1-sulfonate;tetracyclo[6.2.1.13,6.02,7]dodecane;tris(1,1,2,2-tetrafluoropropane-1-sulfonate) is sourced from PubChem (CID 158932579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).