2-tert-butyl-3,6-dimethyl-7-[(2-methylpropan-2-yl)oxy]naphthalene;1-tert-butyl-2-methyl-4-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylbenzene;4-tert-butyl-2-methyl-1-[(2-methylpropan-2-yl)oxy]benzene;1-tert-butyl-3-methyl-7-[(2-methylpropan-2-yl)oxy]naphthalene;2-tert-butyl-6-methyl-3-[(2-methylpropan-2-yl)oxy]naphthalene;(4-tert-butyl-3-methylphenyl)-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methanone;9-(4-tert-butylphenyl)-2,7-dimethyl-9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluorene;methyl 2-[2-(2,5-ditert-butyl-3,6-difluorophenoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulfonate

C172H224F10O15S2 — CID 158450779

About 2-tert-butyl-3,6-dimethyl-7-[(2-methylpropan-2-yl)oxy]naphthalene;1-tert-butyl-2-methyl-4-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylbenzene;4-tert-butyl-2-methyl-1-[(2-methylpropan-2-yl)oxy]benzene;1-tert-butyl-3-methyl-7-[(2-methylpropan-2-yl)oxy]naphthalene;2-tert-butyl-6-methyl-3-[(2-methylpropan-2-yl)oxy]naphthalene;(4-tert-butyl-3-methylphenyl)-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methanone;9-(4-tert-butylphenyl)-2,7-dimethyl-9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluorene;methyl 2-[2-(2,5-ditert-butyl-3,6-difluorophenoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulfonate

2-tert-butyl-3,6-dimethyl-7-[(2-methylpropan-2-yl)oxy]naphthalene;1-tert-butyl-2-methyl-4-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylbenzene;4-tert-butyl-2-methyl-1-[(2-methylpropan-2-yl)oxy]benzene;1-tert-butyl-3-methyl-7-[(2-methylpropan-2-yl)oxy]naphthalene;2-tert-butyl-6-methyl-3-[(2-methylpropan-2-yl)oxy]naphthalene;(4-tert-butyl-3-methylphenyl)-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methanone;9-(4-tert-butylphenyl)-2,7-dimethyl-9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluorene;methyl 2-[2-(2,5-ditert-butyl-3,6-difluorophenoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulfonate (PubChem CID 158450779) has the molecular formula C172H224F10O15S2 and a molecular weight of 2785.78 g/mol. Its IUPAC name is 2-tert-butyl-3,6-dimethyl-7-[(2-methylpropan-2-yl)oxy]naphthalene;1-tert-butyl-2-methyl-4-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylbenzene;4-tert-butyl-2-methyl-1-[(2-methylpropan-2-yl)oxy]benzene;1-tert-butyl-3-methyl-7-[(2-methylpropan-2-yl)oxy]naphthalene;2-tert-butyl-6-methyl-3-[(2-methylpropan-2-yl)oxy]naphthalene;(4-tert-butyl-3-methylphenyl)-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methanone;9-(4-tert-butylphenyl)-2,7-dimethyl-9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluorene;methyl 2-[2-(2,5-ditert-butyl-3,6-difluorophenoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulfonate.

Molecular Properties

• Compound Name: 2-tert-butyl-3,6-dimethyl-7-[(2-methylpropan-2-yl)oxy]naphthalene;1-tert-butyl-2-methyl-4-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylbenzene;4-tert-butyl-2-methyl-1-[(2-methylpropan-2-yl)oxy]benzene;1-tert-butyl-3-methyl-7-[(2-methylpropan-2-yl)oxy]naphthalene;2-tert-butyl-6-methyl-3-[(2-methylpropan-2-yl)oxy]naphthalene;(4-tert-butyl-3-methylphenyl)-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methanone;9-(4-tert-butylphenyl)-2,7-dimethyl-9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluorene;methyl 2-[2-(2,5-ditert-butyl-3,6-difluorophenoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulfonate
• PubChem CID: 158450779
• Molecular Formula: C172H224F10O15S2
• Molecular Weight: 2785.78 g/mol
• Exact Mass: 2783.60
• IUPAC Name: 2-tert-butyl-3,6-dimethyl-7-[(2-methylpropan-2-yl)oxy]naphthalene;1-tert-butyl-2-methyl-4-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylbenzene;4-tert-butyl-2-methyl-1-[(2-methylpropan-2-yl)oxy]benzene;1-tert-butyl-3-methyl-7-[(2-methylpropan-2-yl)oxy]naphthalene;2-tert-butyl-6-methyl-3-[(2-methylpropan-2-yl)oxy]naphthalene;(4-tert-butyl-3-methylphenyl)-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methanone;9-(4-tert-butylphenyl)-2,7-dimethyl-9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluorene;methyl 2-[2-(2,5-ditert-butyl-3,6-difluorophenoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulfonate
• SMILES: COS(=O)(=O)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)Oc1c(F)c(C(C)(C)C)cc(F)c1C(C)(C)C.Cc1cc(C(=O)c2ccc(C(C)(C)C)c(C)c2)ccc1OC(C)(C)C.Cc1cc(C(C)(C)C)c2cc(OC(C)(C)C)ccc2c1.Cc1cc(C(C)(C)C)ccc1OC(C)(C)C.Cc1cc(S(=O)(=O)c2ccc(C(C)(C)C)c(C)c2)ccc1OC(C)(C)C.Cc1cc2cc(C)c(C(C)(C)C)cc2cc1OC(C)(C)C.Cc1ccc2c(c1)C(c1ccc(OC(C)(C)C)cc1)(c1ccc(C(C)(C)C)cc1)c1cc(C)ccc1-2.Cc1ccc2cc(C(C)(C)C)c(OC(C)(C)C)cc2c1
• InChI: InChI=1S/C35H38O.C23H30O2.C22H30O3S.C20H28O.C19H22F10O5S.2C19H26O.C15H24O/c1-23-9-19-29-30-20-10-24(2)22-32(30)35(31(29)21-23,26-13-11-25(12-14-26)33(3,4)5)27-15-17-28(18-16-27)36-34(6,7)8;1-15-13-17(9-11-19(15)22(3,4)5)21(24)18-10-12-20(16(2)14-18)25-23(6,7)8;1-15-13-17(9-11-19(15)21(3,4)5)26(23,24)18-10-12-20(16(2)14-18)25-22(6,7)8;1-13-9-15-10-14(2)18(21-20(6,7)8)12-16(15)11-17(13)19(3,4)5;1-14(2,3)9-8-10(20)11(15(4,5)6)13(12(9)21)33-16(22,23)17(24,25)34-18(26,27)19(28,29)35(30,31)32-7;1-13-10-14-8-9-15(20-19(5,6)7)12-16(14)17(11-13)18(2,3)4;1-13-8-9-14-11-16(18(2,3)4)17(12-15(14)10-13)20-19(5,6)7;1-11-10-12(14(2,3)4)8-9-13(11)16-15(5,6)7/h9-22H,1-8H3;9-14H,1-8H3;9-14H,1-8H3;9-12H,1-8H3;8H,1-7H3;2*8-12H,1-7H3;8-10H,1-7H3
• InChIKey: HDYKUJLMZGRRFT-UHFFFAOYSA-N
• XLogP: 48.71
• TPSA: 177.65 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 21
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2785.78
LogP ≤ 5	48.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3,6-dimethyl-7-[(2-methylpropan-2-yl)oxy]naphthalene;1-tert-butyl-2-methyl-4-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylbenzene;4-tert-butyl-2-methyl-1-[(2-methylpropan-2-yl)oxy]benzene;1-tert-butyl-3-methyl-7-[(2-methylpropan-2-yl)oxy]naphthalene;2-tert-butyl-6-methyl-3-[(2-methylpropan-2-yl)oxy]naphthalene;(4-tert-butyl-3-methylphenyl)-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methanone;9-(4-tert-butylphenyl)-2,7-dimethyl-9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluorene;methyl 2-[2-(2,5-ditert-butyl-3,6-difluorophenoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulfonate?

The IUPAC name of 2-tert-butyl-3,6-dimethyl-7-[(2-methylpropan-2-yl)oxy]naphthalene;1-tert-butyl-2-methyl-4-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylbenzene;4-tert-butyl-2-methyl-1-[(2-methylpropan-2-yl)oxy]benzene;1-tert-butyl-3-methyl-7-[(2-methylpropan-2-yl)oxy]naphthalene;2-tert-butyl-6-methyl-3-[(2-methylpropan-2-yl)oxy]naphthalene;(4-tert-butyl-3-methylphenyl)-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methanone;9-(4-tert-butylphenyl)-2,7-dimethyl-9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluorene;methyl 2-[2-(2,5-ditert-butyl-3,6-difluorophenoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulfonate (CID 158450779) is 2-tert-butyl-3,6-dimethyl-7-[(2-methylpropan-2-yl)oxy]naphthalene;1-tert-butyl-2-methyl-4-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylbenzene;4-tert-butyl-2-methyl-1-[(2-methylpropan-2-yl)oxy]benzene;1-tert-butyl-3-methyl-7-[(2-methylpropan-2-yl)oxy]naphthalene;2-tert-butyl-6-methyl-3-[(2-methylpropan-2-yl)oxy]naphthalene;(4-tert-butyl-3-methylphenyl)-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methanone;9-(4-tert-butylphenyl)-2,7-dimethyl-9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluorene;methyl 2-[2-(2,5-ditert-butyl-3,6-difluorophenoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulfonate.

What is the SMILES notation for 2-tert-butyl-3,6-dimethyl-7-[(2-methylpropan-2-yl)oxy]naphthalene;1-tert-butyl-2-methyl-4-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylbenzene;4-tert-butyl-2-methyl-1-[(2-methylpropan-2-yl)oxy]benzene;1-tert-butyl-3-methyl-7-[(2-methylpropan-2-yl)oxy]naphthalene;2-tert-butyl-6-methyl-3-[(2-methylpropan-2-yl)oxy]naphthalene;(4-tert-butyl-3-methylphenyl)-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methanone;9-(4-tert-butylphenyl)-2,7-dimethyl-9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluorene;methyl 2-[2-(2,5-ditert-butyl-3,6-difluorophenoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulfonate?

The canonical SMILES for 2-tert-butyl-3,6-dimethyl-7-[(2-methylpropan-2-yl)oxy]naphthalene;1-tert-butyl-2-methyl-4-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylbenzene;4-tert-butyl-2-methyl-1-[(2-methylpropan-2-yl)oxy]benzene;1-tert-butyl-3-methyl-7-[(2-methylpropan-2-yl)oxy]naphthalene;2-tert-butyl-6-methyl-3-[(2-methylpropan-2-yl)oxy]naphthalene;(4-tert-butyl-3-methylphenyl)-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methanone;9-(4-tert-butylphenyl)-2,7-dimethyl-9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluorene;methyl 2-[2-(2,5-ditert-butyl-3,6-difluorophenoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulfonate is COS(=O)(=O)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)Oc1c(F)c(C(C)(C)C)cc(F)c1C(C)(C)C.Cc1cc(C(=O)c2ccc(C(C)(C)C)c(C)c2)ccc1OC(C)(C)C.Cc1cc(C(C)(C)C)c2cc(OC(C)(C)C)ccc2c1.Cc1cc(C(C)(C)C)ccc1OC(C)(C)C.Cc1cc(S(=O)(=O)c2ccc(C(C)(C)C)c(C)c2)ccc1OC(C)(C)C.Cc1cc2cc(C)c(C(C)(C)C)cc2cc1OC(C)(C)C.Cc1ccc2c(c1)C(c1ccc(OC(C)(C)C)cc1)(c1ccc(C(C)(C)C)cc1)c1cc(C)ccc1-2.Cc1ccc2cc(C(C)(C)C)c(OC(C)(C)C)cc2c1.

What is the InChIKey of 2-tert-butyl-3,6-dimethyl-7-[(2-methylpropan-2-yl)oxy]naphthalene;1-tert-butyl-2-methyl-4-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylbenzene;4-tert-butyl-2-methyl-1-[(2-methylpropan-2-yl)oxy]benzene;1-tert-butyl-3-methyl-7-[(2-methylpropan-2-yl)oxy]naphthalene;2-tert-butyl-6-methyl-3-[(2-methylpropan-2-yl)oxy]naphthalene;(4-tert-butyl-3-methylphenyl)-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methanone;9-(4-tert-butylphenyl)-2,7-dimethyl-9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluorene;methyl 2-[2-(2,5-ditert-butyl-3,6-difluorophenoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulfonate?

The InChIKey is HDYKUJLMZGRRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38O.C23H30O2.C22H30O3S.C20H28O.C19H22F10O5S.2C19H26O.C15H24O/c1-23-9-19-29-30-20-10-24(2)22-32(30)35(31(29)21-23,26-13-11-25(12-14-26)33(3,4)5)27-15-17-28(18-16-27)36-34(6,7)8;1-15-13-17(9-11-19(15)22(3,4)5)21(24)18-10-12-20(16(2)14-18)25-23(6,7)8;1-15-13-17(9-11-19(15)21(3,4)5)26(23,24)18-10-12-20(16(2)14-18)25-22(6,7)8;1-13-9-15-10-14(2)18(21-20(6,7)8)12-16(15)11-17(13)19(3,4)5;1-14(2,3)9-8-10(20)11(15(4,5)6)13(12(9)21)33-16(22,23)17(24,25)34-18(26,27)19(28,29)35(30,31)32-7;1-13-10-14-8-9-15(20-19(5,6)7)12-16(14)17(11-13)18(2,3)4;1-13-8-9-14-11-16(18(2,3)4)17(12-15(14)10-13)20-19(5,6)7;1-11-10-12(14(2,3)4)8-9-13(11)16-15(5,6)7/h9-22H,1-8H3;9-14H,1-8H3;9-14H,1-8H3;9-12H,1-8H3;8H,1-7H3;2*8-12H,1-7H3;8-10H,1-7H3.

What are the key properties of 2-tert-butyl-3,6-dimethyl-7-[(2-methylpropan-2-yl)oxy]naphthalene;1-tert-butyl-2-methyl-4-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylbenzene;4-tert-butyl-2-methyl-1-[(2-methylpropan-2-yl)oxy]benzene;1-tert-butyl-3-methyl-7-[(2-methylpropan-2-yl)oxy]naphthalene;2-tert-butyl-6-methyl-3-[(2-methylpropan-2-yl)oxy]naphthalene;(4-tert-butyl-3-methylphenyl)-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methanone;9-(4-tert-butylphenyl)-2,7-dimethyl-9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluorene;methyl 2-[2-(2,5-ditert-butyl-3,6-difluorophenoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulfonate?

2-tert-butyl-3,6-dimethyl-7-[(2-methylpropan-2-yl)oxy]naphthalene;1-tert-butyl-2-methyl-4-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylbenzene;4-tert-butyl-2-methyl-1-[(2-methylpropan-2-yl)oxy]benzene;1-tert-butyl-3-methyl-7-[(2-methylpropan-2-yl)oxy]naphthalene;2-tert-butyl-6-methyl-3-[(2-methylpropan-2-yl)oxy]naphthalene;(4-tert-butyl-3-methylphenyl)-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methanone;9-(4-tert-butylphenyl)-2,7-dimethyl-9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluorene;methyl 2-[2-(2,5-ditert-butyl-3,6-difluorophenoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulfonate has a molecular weight of 2785.78 g/mol, XLogP of 48.71, 21 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-3,6-dimethyl-7-[(2-methylpropan-2-yl)oxy]naphthalene;1-tert-butyl-2-methyl-4-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylbenzene;4-tert-butyl-2-methyl-1-[(2-methylpropan-2-yl)oxy]benzene;1-tert-butyl-3-methyl-7-[(2-methylpropan-2-yl)oxy]naphthalene;2-tert-butyl-6-methyl-3-[(2-methylpropan-2-yl)oxy]naphthalene;(4-tert-butyl-3-methylphenyl)-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methanone;9-(4-tert-butylphenyl)-2,7-dimethyl-9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluorene;methyl 2-[2-(2,5-ditert-butyl-3,6-difluorophenoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulfonate is sourced from PubChem (CID 158450779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).