3-(3-dimethylsilylpropoxy)-2-[[3-(2-hydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxypropan-1-ol

C18H44O6Si3 — CID 123685272

About 3-(3-dimethylsilylpropoxy)-2-[[3-(2-hydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxypropan-1-ol

3-(3-dimethylsilylpropoxy)-2-[[3-(2-hydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxypropan-1-ol (PubChem CID 123685272) has the molecular formula C18H44O6Si3 and a molecular weight of 440.80 g/mol. Its IUPAC name is 3-(3-dimethylsilylpropoxy)-2-[[3-(2-hydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxypropan-1-ol.

Molecular Properties

• Compound Name: 3-(3-dimethylsilylpropoxy)-2-[[3-(2-hydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxypropan-1-ol
• PubChem CID: 123685272
• Molecular Formula: C18H44O6Si3
• Molecular Weight: 440.80 g/mol
• Exact Mass: 440.24
• IUPAC Name: 3-(3-dimethylsilylpropoxy)-2-[[3-(2-hydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxypropan-1-ol
• SMILES: CC(O)COCCC[Si](C)(C)O[Si](C)(C)OC(CO)COCCC[SiH](C)C
• InChI: InChI=1S/C18H44O6Si3/c1-17(20)15-21-11-9-13-26(4,5)24-27(6,7)23-18(14-19)16-22-10-8-12-25(2)3/h17-20,25H,8-16H2,1-7H3
• InChIKey: WNOSYCGGGYDPMH-UHFFFAOYSA-N
• XLogP: 2.97
• TPSA: 77.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 17
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.80
LogP ≤ 5	2.97
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 3-(3-dimethylsilylpropoxy)-2-[[3-(2-hydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxypropan-1-ol?

The IUPAC name of 3-(3-dimethylsilylpropoxy)-2-[[3-(2-hydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxypropan-1-ol (CID 123685272) is 3-(3-dimethylsilylpropoxy)-2-[[3-(2-hydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxypropan-1-ol.

What is the SMILES notation for 3-(3-dimethylsilylpropoxy)-2-[[3-(2-hydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxypropan-1-ol?

The canonical SMILES for 3-(3-dimethylsilylpropoxy)-2-[[3-(2-hydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxypropan-1-ol is CC(O)COCCC[Si](C)(C)O[Si](C)(C)OC(CO)COCCC[SiH](C)C.

What is the InChIKey of 3-(3-dimethylsilylpropoxy)-2-[[3-(2-hydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxypropan-1-ol?

The InChIKey is WNOSYCGGGYDPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H44O6Si3/c1-17(20)15-21-11-9-13-26(4,5)24-27(6,7)23-18(14-19)16-22-10-8-12-25(2)3/h17-20,25H,8-16H2,1-7H3.

What are the key properties of 3-(3-dimethylsilylpropoxy)-2-[[3-(2-hydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxypropan-1-ol?

3-(3-dimethylsilylpropoxy)-2-[[3-(2-hydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxypropan-1-ol has a molecular weight of 440.80 g/mol, XLogP of 2.97, 17 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-dimethylsilylpropoxy)-2-[[3-(2-hydroxypropoxy)propyl-dimethylsilyl]oxy-dimethylsilyl]oxypropan-1-ol is sourced from PubChem (CID 123685272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).