3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononoxy)propyl]-methylsilyl]oxy-dimethylsilyl]propan-1-ol

C23H39F17O5Si4 — CID 59944633

About 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononoxy)propyl]-methylsilyl]oxy-dimethylsilyl]propan-1-ol

3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononoxy)propyl]-methylsilyl]oxy-dimethylsilyl]propan-1-ol (PubChem CID 59944633) has the molecular formula C23H39F17O5Si4 and a molecular weight of 830.87 g/mol. Its IUPAC name is 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononoxy)propyl]-methylsilyl]oxy-dimethylsilyl]propan-1-ol.

Molecular Properties

• Compound Name: 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononoxy)propyl]-methylsilyl]oxy-dimethylsilyl]propan-1-ol
• PubChem CID: 59944633
• Molecular Formula: C23H39F17O5Si4
• Molecular Weight: 830.87 g/mol
• Exact Mass: 830.16
• IUPAC Name: 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononoxy)propyl]-methylsilyl]oxy-dimethylsilyl]propan-1-ol
• SMILES: C[Si](C)(C)O[Si](C)(C)O[Si](C)(CCCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O[Si](C)(C)CCCO
• InChI: InChI=1S/C23H39F17O5Si4/c1-46(2,3)43-48(6,7)45-49(8,44-47(4,5)13-9-11-41)14-10-12-42-15-16(24,25)17(26,27)18(28,29)19(30,31)20(32,33)21(34,35)22(36,37)23(38,39)40/h41H,9-15H2,1-8H3
• InChIKey: CKRONIUVGQHVNY-UHFFFAOYSA-N
• XLogP: 9.65
• TPSA: 57.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 21
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	830.87
LogP ≤ 5	9.65
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-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononoxy)propyl]-methylsilyl]oxy-dimethylsilyl]propan-1-ol?

The IUPAC name of 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononoxy)propyl]-methylsilyl]oxy-dimethylsilyl]propan-1-ol (CID 59944633) is 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononoxy)propyl]-methylsilyl]oxy-dimethylsilyl]propan-1-ol.

What is the SMILES notation for 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononoxy)propyl]-methylsilyl]oxy-dimethylsilyl]propan-1-ol?

The canonical SMILES for 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononoxy)propyl]-methylsilyl]oxy-dimethylsilyl]propan-1-ol is C[Si](C)(C)O[Si](C)(C)O[Si](C)(CCCOCC(F)(F)C(F)(F)C(F)(F)C(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-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononoxy)propyl]-methylsilyl]oxy-dimethylsilyl]propan-1-ol?

The InChIKey is CKRONIUVGQHVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39F17O5Si4/c1-46(2,3)43-48(6,7)45-49(8,44-47(4,5)13-9-11-41)14-10-12-42-15-16(24,25)17(26,27)18(28,29)19(30,31)20(32,33)21(34,35)22(36,37)23(38,39)40/h41H,9-15H2,1-8H3.

What are the key properties of 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononoxy)propyl]-methylsilyl]oxy-dimethylsilyl]propan-1-ol?

3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononoxy)propyl]-methylsilyl]oxy-dimethylsilyl]propan-1-ol has a molecular weight of 830.87 g/mol, XLogP of 9.65, 21 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-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononoxy)propyl]-methylsilyl]oxy-dimethylsilyl]propan-1-ol is sourced from PubChem (CID 59944633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).