1-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]-7-[[dimethyl(propyl)silyl]oxy-dimethylsilyl]-4-methylheptan-4-ol

C23H56O3Si4 — CID 155771696

About 1-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]-7-[[dimethyl(propyl)silyl]oxy-dimethylsilyl]-4-methylheptan-4-ol

1-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]-7-[[dimethyl(propyl)silyl]oxy-dimethylsilyl]-4-methylheptan-4-ol (PubChem CID 155771696) has the molecular formula C23H56O3Si4 and a molecular weight of 493.04 g/mol. Its IUPAC name is 1-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]-7-[[dimethyl(propyl)silyl]oxy-dimethylsilyl]-4-methylheptan-4-ol.

Molecular Properties

• Compound Name: 1-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]-7-[[dimethyl(propyl)silyl]oxy-dimethylsilyl]-4-methylheptan-4-ol
• PubChem CID: 155771696
• Molecular Formula: C23H56O3Si4
• Molecular Weight: 493.04 g/mol
• Exact Mass: 492.33
• IUPAC Name: 1-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]-7-[[dimethyl(propyl)silyl]oxy-dimethylsilyl]-4-methylheptan-4-ol
• SMILES: CCCC[Si](C)(C)O[Si](C)(C)CCCC(C)(O)CCC[Si](C)(C)O[Si](C)(C)CCC
• InChI: InChI=1S/C23H56O3Si4/c1-12-14-20-28(6,7)26-30(10,11)22-16-18-23(3,24)17-15-21-29(8,9)25-27(4,5)19-13-2/h24H,12-22H2,1-11H3
• InChIKey: HSSRGPXNPYANDJ-UHFFFAOYSA-N
• XLogP: 8.36
• TPSA: 38.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 17
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.04
LogP ≤ 5	8.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]-7-[[dimethyl(propyl)silyl]oxy-dimethylsilyl]-4-methylheptan-4-ol?

The IUPAC name of 1-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]-7-[[dimethyl(propyl)silyl]oxy-dimethylsilyl]-4-methylheptan-4-ol (CID 155771696) is 1-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]-7-[[dimethyl(propyl)silyl]oxy-dimethylsilyl]-4-methylheptan-4-ol.

What is the SMILES notation for 1-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]-7-[[dimethyl(propyl)silyl]oxy-dimethylsilyl]-4-methylheptan-4-ol?

The canonical SMILES for 1-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]-7-[[dimethyl(propyl)silyl]oxy-dimethylsilyl]-4-methylheptan-4-ol is CCCC[Si](C)(C)O[Si](C)(C)CCCC(C)(O)CCC[Si](C)(C)O[Si](C)(C)CCC.

What is the InChIKey of 1-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]-7-[[dimethyl(propyl)silyl]oxy-dimethylsilyl]-4-methylheptan-4-ol?

The InChIKey is HSSRGPXNPYANDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H56O3Si4/c1-12-14-20-28(6,7)26-30(10,11)22-16-18-23(3,24)17-15-21-29(8,9)25-27(4,5)19-13-2/h24H,12-22H2,1-11H3.

What are the key properties of 1-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]-7-[[dimethyl(propyl)silyl]oxy-dimethylsilyl]-4-methylheptan-4-ol?

1-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]-7-[[dimethyl(propyl)silyl]oxy-dimethylsilyl]-4-methylheptan-4-ol has a molecular weight of 493.04 g/mol, XLogP of 8.36, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]-7-[[dimethyl(propyl)silyl]oxy-dimethylsilyl]-4-methylheptan-4-ol is sourced from PubChem (CID 155771696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).