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

C20H41F9O5Si4 — CID 59944640

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

3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[3-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)propyl]silyl]oxy-dimethylsilyl]propan-1-ol (PubChem CID 59944640) has the molecular formula C20H41F9O5Si4 and a molecular weight of 644.87 g/mol. Its IUPAC name is 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[3-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)propyl]silyl]oxy-dimethylsilyl]propan-1-ol.

Molecular Properties

• Compound Name: 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[3-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)propyl]silyl]oxy-dimethylsilyl]propan-1-ol
• PubChem CID: 59944640
• Molecular Formula: C20H41F9O5Si4
• Molecular Weight: 644.87 g/mol
• Exact Mass: 644.19
• IUPAC Name: 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[3-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)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)F)O[Si](C)(C)CCCO
• InChI: InChI=1S/C20H41F9O5Si4/c1-35(2,3)32-37(6,7)34-38(8,33-36(4,5)15-9-12-30)16-10-13-31-14-11-17(21,22)18(23,24)19(25,26)20(27,28)29/h30H,9-16H2,1-8H3
• InChIKey: VXNMAVXIGAGTPQ-UHFFFAOYSA-N
• XLogP: 7.50
• TPSA: 57.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 18
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	644.87
LogP ≤ 5	7.50
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-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)propyl]silyl]oxy-dimethylsilyl]propan-1-ol?

The IUPAC name of 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[3-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)propyl]silyl]oxy-dimethylsilyl]propan-1-ol (CID 59944640) is 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[3-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)propyl]silyl]oxy-dimethylsilyl]propan-1-ol.

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

The canonical SMILES for 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[3-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)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)F)O[Si](C)(C)CCCO.

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

The InChIKey is VXNMAVXIGAGTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41F9O5Si4/c1-35(2,3)32-37(6,7)34-38(8,33-36(4,5)15-9-12-30)16-10-13-31-14-11-17(21,22)18(23,24)19(25,26)20(27,28)29/h30H,9-16H2,1-8H3.

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

3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[3-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)propyl]silyl]oxy-dimethylsilyl]propan-1-ol has a molecular weight of 644.87 g/mol, XLogP of 7.50, 18 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-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)propyl]silyl]oxy-dimethylsilyl]propan-1-ol is sourced from PubChem (CID 59944640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).