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

C20H45F3O6Si3 — CID 59324245

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

1-[3-[[[3-(2-hydroxypropoxy)propyl-dimethylsilyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilyl]propoxy]propan-2-ol (PubChem CID 59324245) has the molecular formula C20H45F3O6Si3 and a molecular weight of 522.83 g/mol. Its IUPAC name is 1-[3-[[[3-(2-hydroxypropoxy)propyl-dimethylsilyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilyl]propoxy]propan-2-ol.

Molecular Properties

• Compound Name: 1-[3-[[[3-(2-hydroxypropoxy)propyl-dimethylsilyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilyl]propoxy]propan-2-ol
• PubChem CID: 59324245
• Molecular Formula: C20H45F3O6Si3
• Molecular Weight: 522.83 g/mol
• Exact Mass: 522.25
• IUPAC Name: 1-[3-[[[3-(2-hydroxypropoxy)propyl-dimethylsilyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilyl]propoxy]propan-2-ol
• SMILES: CC(O)COCCC[Si](C)(C)O[Si](C)(CCC(F)(F)F)O[Si](C)(C)CCCOCC(C)O
• InChI: InChI=1S/C20H45F3O6Si3/c1-18(24)16-26-11-8-13-30(3,4)28-32(7,15-10-20(21,22)23)29-31(5,6)14-9-12-27-17-19(2)25/h18-19,24-25H,8-17H2,1-7H3
• InChIKey: IVJLVGCYCWQRAT-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 77.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 18
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.83
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

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

The IUPAC name of 1-[3-[[[3-(2-hydroxypropoxy)propyl-dimethylsilyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilyl]propoxy]propan-2-ol (CID 59324245) is 1-[3-[[[3-(2-hydroxypropoxy)propyl-dimethylsilyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilyl]propoxy]propan-2-ol.

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

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

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

The InChIKey is IVJLVGCYCWQRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H45F3O6Si3/c1-18(24)16-26-11-8-13-30(3,4)28-32(7,15-10-20(21,22)23)29-31(5,6)14-9-12-27-17-19(2)25/h18-19,24-25H,8-17H2,1-7H3.

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

1-[3-[[[3-(2-hydroxypropoxy)propyl-dimethylsilyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilyl]propoxy]propan-2-ol has a molecular weight of 522.83 g/mol, XLogP of 5.03, 18 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[[[3-(2-hydroxypropoxy)propyl-dimethylsilyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy-dimethylsilyl]propoxy]propan-2-ol is sourced from PubChem (CID 59324245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).