ethyl-methoxy-[1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-tetratriacontafluoro-9-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)heptadecan-9-yl]oxy-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononoxy)silane

C37H14F64O3Si — CID 151841699

About ethyl-methoxy-[1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-tetratriacontafluoro-9-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)heptadecan-9-yl]oxy-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononoxy)silane

ethyl-methoxy-[1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-tetratriacontafluoro-9-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)heptadecan-9-yl]oxy-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononoxy)silane (PubChem CID 151841699) has the molecular formula C37H14F64O3Si and a molecular weight of 1750.47 g/mol. Its IUPAC name is ethyl-methoxy-[1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-tetratriacontafluoro-9-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)heptadecan-9-yl]oxy-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononoxy)silane.

Molecular Properties

• Compound Name: ethyl-methoxy-[1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-tetratriacontafluoro-9-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)heptadecan-9-yl]oxy-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononoxy)silane
• PubChem CID: 151841699
• Molecular Formula: C37H14F64O3Si
• Molecular Weight: 1750.47 g/mol
• Exact Mass: 1749.97
• IUPAC Name: ethyl-methoxy-[1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-tetratriacontafluoro-9-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)heptadecan-9-yl]oxy-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononoxy)silane
• SMILES: CC[Si](OC)(OCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
• InChI: InChI=1S/C37H14F64O3Si/c1-3-105(102-2,103-6-4-5-7(38,39)9(40,41)13(48,49)26(74,75)30(82,83)34(90,91)92)104-8(10(42,43)14(50,51)17(56,57)20(62,63)23(68,69)27(76,77)31(84,85)35(93,94)95,11(44,45)15(52,53)18(58,59)21(64,65)24(70,71)28(78,79)32(86,87)36(96,97)98)12(46,47)16(54,55)19(60,61)22(66,67)25(72,73)29(80,81)33(88,89)37(99,100)101/h3-6H2,1-2H3
• InChIKey: SGUJZVBJZKJXSA-UHFFFAOYSA-N
• XLogP: 21.91
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 34
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1750.47
LogP ≤ 5	21.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl-methoxy-[1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-tetratriacontafluoro-9-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)heptadecan-9-yl]oxy-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononoxy)silane?

The IUPAC name of ethyl-methoxy-[1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-tetratriacontafluoro-9-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)heptadecan-9-yl]oxy-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononoxy)silane (CID 151841699) is ethyl-methoxy-[1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-tetratriacontafluoro-9-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)heptadecan-9-yl]oxy-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononoxy)silane.

What is the SMILES notation for ethyl-methoxy-[1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-tetratriacontafluoro-9-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)heptadecan-9-yl]oxy-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononoxy)silane?

The canonical SMILES for ethyl-methoxy-[1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-tetratriacontafluoro-9-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)heptadecan-9-yl]oxy-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononoxy)silane is CC[Si](OC)(OCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.

What is the InChIKey of ethyl-methoxy-[1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-tetratriacontafluoro-9-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)heptadecan-9-yl]oxy-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononoxy)silane?

The InChIKey is SGUJZVBJZKJXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H14F64O3Si/c1-3-105(102-2,103-6-4-5-7(38,39)9(40,41)13(48,49)26(74,75)30(82,83)34(90,91)92)104-8(10(42,43)14(50,51)17(56,57)20(62,63)23(68,69)27(76,77)31(84,85)35(93,94)95,11(44,45)15(52,53)18(58,59)21(64,65)24(70,71)28(78,79)32(86,87)36(96,97)98)12(46,47)16(54,55)19(60,61)22(66,67)25(72,73)29(80,81)33(88,89)37(99,100)101/h3-6H2,1-2H3.

What are the key properties of ethyl-methoxy-[1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-tetratriacontafluoro-9-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)heptadecan-9-yl]oxy-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononoxy)silane?

ethyl-methoxy-[1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-tetratriacontafluoro-9-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)heptadecan-9-yl]oxy-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononoxy)silane has a molecular weight of 1750.47 g/mol, XLogP of 21.91, 34 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl-methoxy-[1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-tetratriacontafluoro-9-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)heptadecan-9-yl]oxy-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononoxy)silane is sourced from PubChem (CID 151841699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).