3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[3-(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptoxy)propyl]silyl]oxy-dimethylsilyl]propan-1-ol

C21H41F11O5Si4 — CID 59944641

About 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[3-(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptoxy)propyl]silyl]oxy-dimethylsilyl]propan-1-ol

3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[3-(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptoxy)propyl]silyl]oxy-dimethylsilyl]propan-1-ol (PubChem CID 59944641) has the molecular formula C21H41F11O5Si4 and a molecular weight of 694.88 g/mol. Its IUPAC name is 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[3-(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptoxy)propyl]silyl]oxy-dimethylsilyl]propan-1-ol.

Molecular Properties

• Compound Name: 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[3-(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptoxy)propyl]silyl]oxy-dimethylsilyl]propan-1-ol
• PubChem CID: 59944641
• Molecular Formula: C21H41F11O5Si4
• Molecular Weight: 694.88 g/mol
• Exact Mass: 694.19
• IUPAC Name: 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[3-(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptoxy)propyl]silyl]oxy-dimethylsilyl]propan-1-ol
• SMILES: C[Si](C)(C)O[Si](C)(C)O[Si](C)(CCCOCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O[Si](C)(C)CCCO
• InChI: InChI=1S/C21H41F11O5Si4/c1-38(2,3)35-40(6,7)37-41(8,36-39(4,5)15-9-12-33)16-10-13-34-14-11-17(22,23)18(24,25)19(26,27)20(28,29)21(30,31)32/h33H,9-16H2,1-8H3
• InChIKey: OZMSINXHORUZKJ-UHFFFAOYSA-N
• XLogP: 8.13
• TPSA: 57.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 19
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	694.88
LogP ≤ 5	8.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

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 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[3-(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptoxy)propyl]silyl]oxy-dimethylsilyl]propan-1-ol?

The IUPAC name of 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[3-(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptoxy)propyl]silyl]oxy-dimethylsilyl]propan-1-ol (CID 59944641) is 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[3-(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptoxy)propyl]silyl]oxy-dimethylsilyl]propan-1-ol.

What is the SMILES notation for 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[3-(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptoxy)propyl]silyl]oxy-dimethylsilyl]propan-1-ol?

The canonical SMILES for 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[3-(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptoxy)propyl]silyl]oxy-dimethylsilyl]propan-1-ol is C[Si](C)(C)O[Si](C)(C)O[Si](C)(CCCOCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O[Si](C)(C)CCCO.

What is the InChIKey of 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[3-(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptoxy)propyl]silyl]oxy-dimethylsilyl]propan-1-ol?

The InChIKey is OZMSINXHORUZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41F11O5Si4/c1-38(2,3)35-40(6,7)37-41(8,36-39(4,5)15-9-12-33)16-10-13-34-14-11-17(22,23)18(24,25)19(26,27)20(28,29)21(30,31)32/h33H,9-16H2,1-8H3.

What are the key properties of 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[3-(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptoxy)propyl]silyl]oxy-dimethylsilyl]propan-1-ol?

3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[3-(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptoxy)propyl]silyl]oxy-dimethylsilyl]propan-1-ol has a molecular weight of 694.88 g/mol, XLogP of 8.13, 19 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[3-(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptoxy)propyl]silyl]oxy-dimethylsilyl]propan-1-ol is sourced from PubChem (CID 59944641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).