2-(7-tert-butylsulfonylheptyl)-3,4-dimethyl-5-(trifluoromethyl)pyridine;1-cyclopentyloxy-2-ethyl-4-heptylbenzene;1-(2,3-dimethylcyclopentyl)oxy-4-heptylbenzene;2-ethyl-4-heptyl-1-(trifluoromethyl)benzene;2-(4-heptyl-3-methylphenyl)-4-methylthiophene;2-[3-methyl-4-(5-methylheptyl)phenyl]furan;2-[3-methyl-4-(5-methylheptyl)phenyl]-1,3-oxazole;hexakis(2-methylpropane-2-sulfinate)

C155H248F6N2O18S8-6 — CID 160988835

About 2-(7-tert-butylsulfonylheptyl)-3,4-dimethyl-5-(trifluoromethyl)pyridine;1-cyclopentyloxy-2-ethyl-4-heptylbenzene;1-(2,3-dimethylcyclopentyl)oxy-4-heptylbenzene;2-ethyl-4-heptyl-1-(trifluoromethyl)benzene;2-(4-heptyl-3-methylphenyl)-4-methylthiophene;2-[3-methyl-4-(5-methylheptyl)phenyl]furan;2-[3-methyl-4-(5-methylheptyl)phenyl]-1,3-oxazole;hexakis(2-methylpropane-2-sulfinate)

2-(7-tert-butylsulfonylheptyl)-3,4-dimethyl-5-(trifluoromethyl)pyridine;1-cyclopentyloxy-2-ethyl-4-heptylbenzene;1-(2,3-dimethylcyclopentyl)oxy-4-heptylbenzene;2-ethyl-4-heptyl-1-(trifluoromethyl)benzene;2-(4-heptyl-3-methylphenyl)-4-methylthiophene;2-[3-methyl-4-(5-methylheptyl)phenyl]furan;2-[3-methyl-4-(5-methylheptyl)phenyl]-1,3-oxazole;hexakis(2-methylpropane-2-sulfinate) (PubChem CID 160988835) has the molecular formula C155H248F6N2O18S8-6 and a molecular weight of 2798.21 g/mol. Its IUPAC name is 2-(7-tert-butylsulfonylheptyl)-3,4-dimethyl-5-(trifluoromethyl)pyridine;1-cyclopentyloxy-2-ethyl-4-heptylbenzene;1-(2,3-dimethylcyclopentyl)oxy-4-heptylbenzene;2-ethyl-4-heptyl-1-(trifluoromethyl)benzene;2-(4-heptyl-3-methylphenyl)-4-methylthiophene;2-[3-methyl-4-(5-methylheptyl)phenyl]furan;2-[3-methyl-4-(5-methylheptyl)phenyl]-1,3-oxazole;hexakis(2-methylpropane-2-sulfinate).

Molecular Properties

• Compound Name: 2-(7-tert-butylsulfonylheptyl)-3,4-dimethyl-5-(trifluoromethyl)pyridine;1-cyclopentyloxy-2-ethyl-4-heptylbenzene;1-(2,3-dimethylcyclopentyl)oxy-4-heptylbenzene;2-ethyl-4-heptyl-1-(trifluoromethyl)benzene;2-(4-heptyl-3-methylphenyl)-4-methylthiophene;2-[3-methyl-4-(5-methylheptyl)phenyl]furan;2-[3-methyl-4-(5-methylheptyl)phenyl]-1,3-oxazole;hexakis(2-methylpropane-2-sulfinate)
• PubChem CID: 160988835
• Molecular Formula: C155H248F6N2O18S8-6
• Molecular Weight: 2798.21 g/mol
• Exact Mass: 2795.63
• IUPAC Name: 2-(7-tert-butylsulfonylheptyl)-3,4-dimethyl-5-(trifluoromethyl)pyridine;1-cyclopentyloxy-2-ethyl-4-heptylbenzene;1-(2,3-dimethylcyclopentyl)oxy-4-heptylbenzene;2-ethyl-4-heptyl-1-(trifluoromethyl)benzene;2-(4-heptyl-3-methylphenyl)-4-methylthiophene;2-[3-methyl-4-(5-methylheptyl)phenyl]furan;2-[3-methyl-4-(5-methylheptyl)phenyl]-1,3-oxazole;hexakis(2-methylpropane-2-sulfinate)
• SMILES: CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CCC(C)CCCCc1ccc(-c2ccco2)cc1C.CCC(C)CCCCc1ccc(-c2ncco2)cc1C.CCCCCCCc1ccc(-c2cc(C)cs2)cc1C.CCCCCCCc1ccc(C(F)(F)F)c(CC)c1.CCCCCCCc1ccc(OC2CCC(C)C2C)cc1.CCCCCCCc1ccc(OC2CCCC2)c(CC)c1.Cc1c(C(F)(F)F)cnc(CCCCCCCS(=O)(=O)C(C)(C)C)c1C
• InChI: InChI=1S/2C20H32O.C19H30F3NO2S.C19H26O.C19H26S.C18H25NO.C16H23F3.6C4H10O2S/c1-4-5-6-7-8-9-18-11-13-19(14-12-18)21-20-15-10-16(2)17(20)3;1-3-5-6-7-8-11-17-14-15-20(18(4-2)16-17)21-19-12-9-10-13-19;1-14-15(2)17(23-13-16(14)19(20,21)22)11-9-7-6-8-10-12-26(24,25)18(3,4)5;1-4-15(2)8-5-6-9-17-11-12-18(14-16(17)3)19-10-7-13-20-19;1-4-5-6-7-8-9-17-10-11-18(13-16(17)3)19-12-15(2)14-20-19;1-4-14(2)7-5-6-8-16-9-10-17(13-15(16)3)18-19-11-12-20-18;1-3-5-6-7-8-9-13-10-11-15(16(17,18)19)14(4-2)12-13;6*1-4(2,3)7(5)6/h11-14,16-17,20H,4-10,15H2,1-3H3;14-16,19H,3-13H2,1-2H3;13H,6-12H2,1-5H3;7,10-15H,4-6,8-9H2,1-3H3;10-14H,4-9H2,1-3H3;9-14H,4-8H2,1-3H3;10-12H,3-9H2,1-2H3;6*1-3H3,(H,5,6)/p-6
• InChIKey: FVLURIYJDYMFCE-UHFFFAOYSA-H
• XLogP: 45.25
• TPSA: 345.44 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 53
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2798.21
LogP ≤ 5	45.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(7-tert-butylsulfonylheptyl)-3,4-dimethyl-5-(trifluoromethyl)pyridine;1-cyclopentyloxy-2-ethyl-4-heptylbenzene;1-(2,3-dimethylcyclopentyl)oxy-4-heptylbenzene;2-ethyl-4-heptyl-1-(trifluoromethyl)benzene;2-(4-heptyl-3-methylphenyl)-4-methylthiophene;2-[3-methyl-4-(5-methylheptyl)phenyl]furan;2-[3-methyl-4-(5-methylheptyl)phenyl]-1,3-oxazole;hexakis(2-methylpropane-2-sulfinate)?

The IUPAC name of 2-(7-tert-butylsulfonylheptyl)-3,4-dimethyl-5-(trifluoromethyl)pyridine;1-cyclopentyloxy-2-ethyl-4-heptylbenzene;1-(2,3-dimethylcyclopentyl)oxy-4-heptylbenzene;2-ethyl-4-heptyl-1-(trifluoromethyl)benzene;2-(4-heptyl-3-methylphenyl)-4-methylthiophene;2-[3-methyl-4-(5-methylheptyl)phenyl]furan;2-[3-methyl-4-(5-methylheptyl)phenyl]-1,3-oxazole;hexakis(2-methylpropane-2-sulfinate) (CID 160988835) is 2-(7-tert-butylsulfonylheptyl)-3,4-dimethyl-5-(trifluoromethyl)pyridine;1-cyclopentyloxy-2-ethyl-4-heptylbenzene;1-(2,3-dimethylcyclopentyl)oxy-4-heptylbenzene;2-ethyl-4-heptyl-1-(trifluoromethyl)benzene;2-(4-heptyl-3-methylphenyl)-4-methylthiophene;2-[3-methyl-4-(5-methylheptyl)phenyl]furan;2-[3-methyl-4-(5-methylheptyl)phenyl]-1,3-oxazole;hexakis(2-methylpropane-2-sulfinate).

What is the SMILES notation for 2-(7-tert-butylsulfonylheptyl)-3,4-dimethyl-5-(trifluoromethyl)pyridine;1-cyclopentyloxy-2-ethyl-4-heptylbenzene;1-(2,3-dimethylcyclopentyl)oxy-4-heptylbenzene;2-ethyl-4-heptyl-1-(trifluoromethyl)benzene;2-(4-heptyl-3-methylphenyl)-4-methylthiophene;2-[3-methyl-4-(5-methylheptyl)phenyl]furan;2-[3-methyl-4-(5-methylheptyl)phenyl]-1,3-oxazole;hexakis(2-methylpropane-2-sulfinate)?

The canonical SMILES for 2-(7-tert-butylsulfonylheptyl)-3,4-dimethyl-5-(trifluoromethyl)pyridine;1-cyclopentyloxy-2-ethyl-4-heptylbenzene;1-(2,3-dimethylcyclopentyl)oxy-4-heptylbenzene;2-ethyl-4-heptyl-1-(trifluoromethyl)benzene;2-(4-heptyl-3-methylphenyl)-4-methylthiophene;2-[3-methyl-4-(5-methylheptyl)phenyl]furan;2-[3-methyl-4-(5-methylheptyl)phenyl]-1,3-oxazole;hexakis(2-methylpropane-2-sulfinate) is CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CCC(C)CCCCc1ccc(-c2ccco2)cc1C.CCC(C)CCCCc1ccc(-c2ncco2)cc1C.CCCCCCCc1ccc(-c2cc(C)cs2)cc1C.CCCCCCCc1ccc(C(F)(F)F)c(CC)c1.CCCCCCCc1ccc(OC2CCC(C)C2C)cc1.CCCCCCCc1ccc(OC2CCCC2)c(CC)c1.Cc1c(C(F)(F)F)cnc(CCCCCCCS(=O)(=O)C(C)(C)C)c1C.

What is the InChIKey of 2-(7-tert-butylsulfonylheptyl)-3,4-dimethyl-5-(trifluoromethyl)pyridine;1-cyclopentyloxy-2-ethyl-4-heptylbenzene;1-(2,3-dimethylcyclopentyl)oxy-4-heptylbenzene;2-ethyl-4-heptyl-1-(trifluoromethyl)benzene;2-(4-heptyl-3-methylphenyl)-4-methylthiophene;2-[3-methyl-4-(5-methylheptyl)phenyl]furan;2-[3-methyl-4-(5-methylheptyl)phenyl]-1,3-oxazole;hexakis(2-methylpropane-2-sulfinate)?

The InChIKey is FVLURIYJDYMFCE-UHFFFAOYSA-H. The full InChI is InChI=1S/2C20H32O.C19H30F3NO2S.C19H26O.C19H26S.C18H25NO.C16H23F3.6C4H10O2S/c1-4-5-6-7-8-9-18-11-13-19(14-12-18)21-20-15-10-16(2)17(20)3;1-3-5-6-7-8-11-17-14-15-20(18(4-2)16-17)21-19-12-9-10-13-19;1-14-15(2)17(23-13-16(14)19(20,21)22)11-9-7-6-8-10-12-26(24,25)18(3,4)5;1-4-15(2)8-5-6-9-17-11-12-18(14-16(17)3)19-10-7-13-20-19;1-4-5-6-7-8-9-17-10-11-18(13-16(17)3)19-12-15(2)14-20-19;1-4-14(2)7-5-6-8-16-9-10-17(13-15(16)3)18-19-11-12-20-18;1-3-5-6-7-8-9-13-10-11-15(16(17,18)19)14(4-2)12-13;6*1-4(2,3)7(5)6/h11-14,16-17,20H,4-10,15H2,1-3H3;14-16,19H,3-13H2,1-2H3;13H,6-12H2,1-5H3;7,10-15H,4-6,8-9H2,1-3H3;10-14H,4-9H2,1-3H3;9-14H,4-8H2,1-3H3;10-12H,3-9H2,1-2H3;6*1-3H3,(H,5,6)/p-6.

What are the key properties of 2-(7-tert-butylsulfonylheptyl)-3,4-dimethyl-5-(trifluoromethyl)pyridine;1-cyclopentyloxy-2-ethyl-4-heptylbenzene;1-(2,3-dimethylcyclopentyl)oxy-4-heptylbenzene;2-ethyl-4-heptyl-1-(trifluoromethyl)benzene;2-(4-heptyl-3-methylphenyl)-4-methylthiophene;2-[3-methyl-4-(5-methylheptyl)phenyl]furan;2-[3-methyl-4-(5-methylheptyl)phenyl]-1,3-oxazole;hexakis(2-methylpropane-2-sulfinate)?

2-(7-tert-butylsulfonylheptyl)-3,4-dimethyl-5-(trifluoromethyl)pyridine;1-cyclopentyloxy-2-ethyl-4-heptylbenzene;1-(2,3-dimethylcyclopentyl)oxy-4-heptylbenzene;2-ethyl-4-heptyl-1-(trifluoromethyl)benzene;2-(4-heptyl-3-methylphenyl)-4-methylthiophene;2-[3-methyl-4-(5-methylheptyl)phenyl]furan;2-[3-methyl-4-(5-methylheptyl)phenyl]-1,3-oxazole;hexakis(2-methylpropane-2-sulfinate) has a molecular weight of 2798.21 g/mol, XLogP of 45.25, 53 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(7-tert-butylsulfonylheptyl)-3,4-dimethyl-5-(trifluoromethyl)pyridine;1-cyclopentyloxy-2-ethyl-4-heptylbenzene;1-(2,3-dimethylcyclopentyl)oxy-4-heptylbenzene;2-ethyl-4-heptyl-1-(trifluoromethyl)benzene;2-(4-heptyl-3-methylphenyl)-4-methylthiophene;2-[3-methyl-4-(5-methylheptyl)phenyl]furan;2-[3-methyl-4-(5-methylheptyl)phenyl]-1,3-oxazole;hexakis(2-methylpropane-2-sulfinate) is sourced from PubChem (CID 160988835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).