1-[1-[3-[[[3-[2-(2-hydroxypropoxy)propoxy]propyl-dimethylsilyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilyl]propoxy]propan-2-yloxy]propan-2-ol

C26H57F3O8Si3 — CID 155646583

About 1-[1-[3-[[[3-[2-(2-hydroxypropoxy)propoxy]propyl-dimethylsilyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilyl]propoxy]propan-2-yloxy]propan-2-ol

1-[1-[3-[[[3-[2-(2-hydroxypropoxy)propoxy]propyl-dimethylsilyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilyl]propoxy]propan-2-yloxy]propan-2-ol (PubChem CID 155646583) has the molecular formula C26H57F3O8Si3 and a molecular weight of 638.99 g/mol. Its IUPAC name is 1-[1-[3-[[[3-[2-(2-hydroxypropoxy)propoxy]propyl-dimethylsilyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilyl]propoxy]propan-2-yloxy]propan-2-ol.

Molecular Properties

• Compound Name: 1-[1-[3-[[[3-[2-(2-hydroxypropoxy)propoxy]propyl-dimethylsilyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilyl]propoxy]propan-2-yloxy]propan-2-ol
• PubChem CID: 155646583
• Molecular Formula: C26H57F3O8Si3
• Molecular Weight: 638.99 g/mol
• Exact Mass: 638.33
• IUPAC Name: 1-[1-[3-[[[3-[2-(2-hydroxypropoxy)propoxy]propyl-dimethylsilyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilyl]propoxy]propan-2-yloxy]propan-2-ol
• SMILES: CC(O)COC(C)COCCC[Si](C)(C)O[Si](C)(CCC(F)(F)F)O[Si](C)(C)CCCOCC(C)OCC(C)O
• InChI: InChI=1S/C26H57F3O8Si3/c1-22(30)18-34-24(3)20-32-13-10-15-38(5,6)36-40(9,17-12-26(27,28)29)37-39(7,8)16-11-14-33-21-25(4)35-19-23(2)31/h22-25,30-31H,10-21H2,1-9H3
• InChIKey: MZIJVWQACHKRQR-UHFFFAOYSA-N
• XLogP: 5.84
• TPSA: 95.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 24
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	638.99
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

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 1-[1-[3-[[[3-[2-(2-hydroxypropoxy)propoxy]propyl-dimethylsilyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilyl]propoxy]propan-2-yloxy]propan-2-ol?

The IUPAC name of 1-[1-[3-[[[3-[2-(2-hydroxypropoxy)propoxy]propyl-dimethylsilyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilyl]propoxy]propan-2-yloxy]propan-2-ol (CID 155646583) is 1-[1-[3-[[[3-[2-(2-hydroxypropoxy)propoxy]propyl-dimethylsilyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilyl]propoxy]propan-2-yloxy]propan-2-ol.

What is the SMILES notation for 1-[1-[3-[[[3-[2-(2-hydroxypropoxy)propoxy]propyl-dimethylsilyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilyl]propoxy]propan-2-yloxy]propan-2-ol?

The canonical SMILES for 1-[1-[3-[[[3-[2-(2-hydroxypropoxy)propoxy]propyl-dimethylsilyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilyl]propoxy]propan-2-yloxy]propan-2-ol is CC(O)COC(C)COCCC[Si](C)(C)O[Si](C)(CCC(F)(F)F)O[Si](C)(C)CCCOCC(C)OCC(C)O.

What is the InChIKey of 1-[1-[3-[[[3-[2-(2-hydroxypropoxy)propoxy]propyl-dimethylsilyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilyl]propoxy]propan-2-yloxy]propan-2-ol?

The InChIKey is MZIJVWQACHKRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H57F3O8Si3/c1-22(30)18-34-24(3)20-32-13-10-15-38(5,6)36-40(9,17-12-26(27,28)29)37-39(7,8)16-11-14-33-21-25(4)35-19-23(2)31/h22-25,30-31H,10-21H2,1-9H3.

What are the key properties of 1-[1-[3-[[[3-[2-(2-hydroxypropoxy)propoxy]propyl-dimethylsilyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilyl]propoxy]propan-2-yloxy]propan-2-ol?

1-[1-[3-[[[3-[2-(2-hydroxypropoxy)propoxy]propyl-dimethylsilyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilyl]propoxy]propan-2-yloxy]propan-2-ol has a molecular weight of 638.99 g/mol, XLogP of 5.84, 24 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[3-[[[3-[2-(2-hydroxypropoxy)propoxy]propyl-dimethylsilyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilyl]propoxy]propan-2-yloxy]propan-2-ol is sourced from PubChem (CID 155646583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).