3-[2-[4-(benzenesulfonylmethyl)phenyl]ethylsulfanyl]propyl-dimethoxy-methylsilane;diethoxy-methyl-[(E)-3-(2,2,4,4,4-pentafluorobutylsulfonyl)prop-1-enyl]silane;diethoxy-methyl-[(E)-3-(trifluoromethylsulfonyl)prop-1-enyl]silane;dimethoxy-methyl-[3-[2-[4-[(4-methylphenyl)sulfonylmethyl]phenyl]ethylsulfanyl]propyl]silane

C64H100F8O16S6Si4 — CID 158222994

About 3-[2-[4-(benzenesulfonylmethyl)phenyl]ethylsulfanyl]propyl-dimethoxy-methylsilane;diethoxy-methyl-[(E)-3-(2,2,4,4,4-pentafluorobutylsulfonyl)prop-1-enyl]silane;diethoxy-methyl-[(E)-3-(trifluoromethylsulfonyl)prop-1-enyl]silane;dimethoxy-methyl-[3-[2-[4-[(4-methylphenyl)sulfonylmethyl]phenyl]ethylsulfanyl]propyl]silane

3-[2-[4-(benzenesulfonylmethyl)phenyl]ethylsulfanyl]propyl-dimethoxy-methylsilane;diethoxy-methyl-[(E)-3-(2,2,4,4,4-pentafluorobutylsulfonyl)prop-1-enyl]silane;diethoxy-methyl-[(E)-3-(trifluoromethylsulfonyl)prop-1-enyl]silane;dimethoxy-methyl-[3-[2-[4-[(4-methylphenyl)sulfonylmethyl]phenyl]ethylsulfanyl]propyl]silane (PubChem CID 158222994) has the molecular formula C64H100F8O16S6Si4 and a molecular weight of 1582.22 g/mol. Its IUPAC name is 3-[2-[4-(benzenesulfonylmethyl)phenyl]ethylsulfanyl]propyl-dimethoxy-methylsilane;diethoxy-methyl-[(E)-3-(2,2,4,4,4-pentafluorobutylsulfonyl)prop-1-enyl]silane;diethoxy-methyl-[(E)-3-(trifluoromethylsulfonyl)prop-1-enyl]silane;dimethoxy-methyl-[3-[2-[4-[(4-methylphenyl)sulfonylmethyl]phenyl]ethylsulfanyl]propyl]silane.

Molecular Properties

• Compound Name: 3-[2-[4-(benzenesulfonylmethyl)phenyl]ethylsulfanyl]propyl-dimethoxy-methylsilane;diethoxy-methyl-[(E)-3-(2,2,4,4,4-pentafluorobutylsulfonyl)prop-1-enyl]silane;diethoxy-methyl-[(E)-3-(trifluoromethylsulfonyl)prop-1-enyl]silane;dimethoxy-methyl-[3-[2-[4-[(4-methylphenyl)sulfonylmethyl]phenyl]ethylsulfanyl]propyl]silane
• PubChem CID: 158222994
• Molecular Formula: C64H100F8O16S6Si4
• Molecular Weight: 1582.22 g/mol
• Exact Mass: 1580.43
• IUPAC Name: 3-[2-[4-(benzenesulfonylmethyl)phenyl]ethylsulfanyl]propyl-dimethoxy-methylsilane;diethoxy-methyl-[(E)-3-(2,2,4,4,4-pentafluorobutylsulfonyl)prop-1-enyl]silane;diethoxy-methyl-[(E)-3-(trifluoromethylsulfonyl)prop-1-enyl]silane;dimethoxy-methyl-[3-[2-[4-[(4-methylphenyl)sulfonylmethyl]phenyl]ethylsulfanyl]propyl]silane
• SMILES: CCO[Si](C)(/C=C/CS(=O)(=O)C(F)(F)F)OCC.CCO[Si](C)(/C=C/CS(=O)(=O)CC(F)(F)CC(F)(F)F)OCC.CO[Si](C)(CCCSCCc1ccc(CS(=O)(=O)c2ccc(C)cc2)cc1)OC.CO[Si](C)(CCCSCCc1ccc(CS(=O)(=O)c2ccccc2)cc1)OC
• InChI: InChI=1S/C22H32O4S2Si.C21H30O4S2Si.C12H21F5O4SSi.C9H17F3O4SSi/c1-19-6-12-22(13-7-19)28(23,24)18-21-10-8-20(9-11-21)14-16-27-15-5-17-29(4,25-2)26-3;1-24-28(3,25-2)17-7-15-26-16-14-19-10-12-20(13-11-19)18-27(22,23)21-8-5-4-6-9-21;1-4-20-23(3,21-5-2)8-6-7-22(18,19)10-11(13,14)9-12(15,16)17;1-4-15-18(3,16-5-2)8-6-7-17(13,14)9(10,11)12/h6-13H,5,14-18H2,1-4H3;4-6,8-13H,7,14-18H2,1-3H3;6,8H,4-5,7,9-10H2,1-3H3;6,8H,4-5,7H2,1-3H3/b;;2*8-6+
• InChIKey: GDLVDTFXIMEZHM-IXKJETIDSA-N
• XLogP: 15.08
• TPSA: 210.40 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 41
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1582.22
LogP ≤ 5	15.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(benzenesulfonylmethyl)phenyl]ethylsulfanyl]propyl-dimethoxy-methylsilane;diethoxy-methyl-[(E)-3-(2,2,4,4,4-pentafluorobutylsulfonyl)prop-1-enyl]silane;diethoxy-methyl-[(E)-3-(trifluoromethylsulfonyl)prop-1-enyl]silane;dimethoxy-methyl-[3-[2-[4-[(4-methylphenyl)sulfonylmethyl]phenyl]ethylsulfanyl]propyl]silane?

The IUPAC name of 3-[2-[4-(benzenesulfonylmethyl)phenyl]ethylsulfanyl]propyl-dimethoxy-methylsilane;diethoxy-methyl-[(E)-3-(2,2,4,4,4-pentafluorobutylsulfonyl)prop-1-enyl]silane;diethoxy-methyl-[(E)-3-(trifluoromethylsulfonyl)prop-1-enyl]silane;dimethoxy-methyl-[3-[2-[4-[(4-methylphenyl)sulfonylmethyl]phenyl]ethylsulfanyl]propyl]silane (CID 158222994) is 3-[2-[4-(benzenesulfonylmethyl)phenyl]ethylsulfanyl]propyl-dimethoxy-methylsilane;diethoxy-methyl-[(E)-3-(2,2,4,4,4-pentafluorobutylsulfonyl)prop-1-enyl]silane;diethoxy-methyl-[(E)-3-(trifluoromethylsulfonyl)prop-1-enyl]silane;dimethoxy-methyl-[3-[2-[4-[(4-methylphenyl)sulfonylmethyl]phenyl]ethylsulfanyl]propyl]silane.

What is the SMILES notation for 3-[2-[4-(benzenesulfonylmethyl)phenyl]ethylsulfanyl]propyl-dimethoxy-methylsilane;diethoxy-methyl-[(E)-3-(2,2,4,4,4-pentafluorobutylsulfonyl)prop-1-enyl]silane;diethoxy-methyl-[(E)-3-(trifluoromethylsulfonyl)prop-1-enyl]silane;dimethoxy-methyl-[3-[2-[4-[(4-methylphenyl)sulfonylmethyl]phenyl]ethylsulfanyl]propyl]silane?

The canonical SMILES for 3-[2-[4-(benzenesulfonylmethyl)phenyl]ethylsulfanyl]propyl-dimethoxy-methylsilane;diethoxy-methyl-[(E)-3-(2,2,4,4,4-pentafluorobutylsulfonyl)prop-1-enyl]silane;diethoxy-methyl-[(E)-3-(trifluoromethylsulfonyl)prop-1-enyl]silane;dimethoxy-methyl-[3-[2-[4-[(4-methylphenyl)sulfonylmethyl]phenyl]ethylsulfanyl]propyl]silane is CCO[Si](C)(/C=C/CS(=O)(=O)C(F)(F)F)OCC.CCO[Si](C)(/C=C/CS(=O)(=O)CC(F)(F)CC(F)(F)F)OCC.CO[Si](C)(CCCSCCc1ccc(CS(=O)(=O)c2ccc(C)cc2)cc1)OC.CO[Si](C)(CCCSCCc1ccc(CS(=O)(=O)c2ccccc2)cc1)OC.

What is the InChIKey of 3-[2-[4-(benzenesulfonylmethyl)phenyl]ethylsulfanyl]propyl-dimethoxy-methylsilane;diethoxy-methyl-[(E)-3-(2,2,4,4,4-pentafluorobutylsulfonyl)prop-1-enyl]silane;diethoxy-methyl-[(E)-3-(trifluoromethylsulfonyl)prop-1-enyl]silane;dimethoxy-methyl-[3-[2-[4-[(4-methylphenyl)sulfonylmethyl]phenyl]ethylsulfanyl]propyl]silane?

The InChIKey is GDLVDTFXIMEZHM-IXKJETIDSA-N. The full InChI is InChI=1S/C22H32O4S2Si.C21H30O4S2Si.C12H21F5O4SSi.C9H17F3O4SSi/c1-19-6-12-22(13-7-19)28(23,24)18-21-10-8-20(9-11-21)14-16-27-15-5-17-29(4,25-2)26-3;1-24-28(3,25-2)17-7-15-26-16-14-19-10-12-20(13-11-19)18-27(22,23)21-8-5-4-6-9-21;1-4-20-23(3,21-5-2)8-6-7-22(18,19)10-11(13,14)9-12(15,16)17;1-4-15-18(3,16-5-2)8-6-7-17(13,14)9(10,11)12/h6-13H,5,14-18H2,1-4H3;4-6,8-13H,7,14-18H2,1-3H3;6,8H,4-5,7,9-10H2,1-3H3;6,8H,4-5,7H2,1-3H3/b;;2*8-6+.

What are the key properties of 3-[2-[4-(benzenesulfonylmethyl)phenyl]ethylsulfanyl]propyl-dimethoxy-methylsilane;diethoxy-methyl-[(E)-3-(2,2,4,4,4-pentafluorobutylsulfonyl)prop-1-enyl]silane;diethoxy-methyl-[(E)-3-(trifluoromethylsulfonyl)prop-1-enyl]silane;dimethoxy-methyl-[3-[2-[4-[(4-methylphenyl)sulfonylmethyl]phenyl]ethylsulfanyl]propyl]silane?

3-[2-[4-(benzenesulfonylmethyl)phenyl]ethylsulfanyl]propyl-dimethoxy-methylsilane;diethoxy-methyl-[(E)-3-(2,2,4,4,4-pentafluorobutylsulfonyl)prop-1-enyl]silane;diethoxy-methyl-[(E)-3-(trifluoromethylsulfonyl)prop-1-enyl]silane;dimethoxy-methyl-[3-[2-[4-[(4-methylphenyl)sulfonylmethyl]phenyl]ethylsulfanyl]propyl]silane has a molecular weight of 1582.22 g/mol, XLogP of 15.08, 41 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[4-(benzenesulfonylmethyl)phenyl]ethylsulfanyl]propyl-dimethoxy-methylsilane;diethoxy-methyl-[(E)-3-(2,2,4,4,4-pentafluorobutylsulfonyl)prop-1-enyl]silane;diethoxy-methyl-[(E)-3-(trifluoromethylsulfonyl)prop-1-enyl]silane;dimethoxy-methyl-[3-[2-[4-[(4-methylphenyl)sulfonylmethyl]phenyl]ethylsulfanyl]propyl]silane is sourced from PubChem (CID 158222994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).