2,2-bis[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl]propane-1,3-diol

C25H60O4Si4 — CID 165155198

About 2,2-bis[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl]propane-1,3-diol

2,2-bis[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl]propane-1,3-diol (PubChem CID 165155198) has the molecular formula C25H60O4Si4 and a molecular weight of 537.10 g/mol. Its IUPAC name is 2,2-bis[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl]propane-1,3-diol.

Molecular Properties

• Compound Name: 2,2-bis[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl]propane-1,3-diol
• PubChem CID: 165155198
• Molecular Formula: C25H60O4Si4
• Molecular Weight: 537.10 g/mol
• Exact Mass: 536.36
• IUPAC Name: 2,2-bis[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl]propane-1,3-diol
• SMILES: CCCC[Si](C)(C)O[Si](C)(C)CCCC(CO)(CO)CCC[Si](C)(C)O[Si](C)(C)CCCC
• InChI: InChI=1S/C25H60O4Si4/c1-11-13-19-30(3,4)28-32(7,8)21-15-17-25(23-26,24-27)18-16-22-33(9,10)29-31(5,6)20-14-12-2/h26-27H,11-24H2,1-10H3
• InChIKey: NHNWTLBKXQMMBL-UHFFFAOYSA-N
• XLogP: 7.97
• TPSA: 58.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 20
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	537.10
LogP ≤ 5	7.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,2-bis[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl]propane-1,3-diol?

The IUPAC name of 2,2-bis[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl]propane-1,3-diol (CID 165155198) is 2,2-bis[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl]propane-1,3-diol.

What is the SMILES notation for 2,2-bis[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl]propane-1,3-diol?

The canonical SMILES for 2,2-bis[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl]propane-1,3-diol is CCCC[Si](C)(C)O[Si](C)(C)CCCC(CO)(CO)CCC[Si](C)(C)O[Si](C)(C)CCCC.

What is the InChIKey of 2,2-bis[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl]propane-1,3-diol?

The InChIKey is NHNWTLBKXQMMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H60O4Si4/c1-11-13-19-30(3,4)28-32(7,8)21-15-17-25(23-26,24-27)18-16-22-33(9,10)29-31(5,6)20-14-12-2/h26-27H,11-24H2,1-10H3.

What are the key properties of 2,2-bis[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl]propane-1,3-diol?

2,2-bis[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl]propane-1,3-diol has a molecular weight of 537.10 g/mol, XLogP of 7.97, 20 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-bis[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl]propane-1,3-diol is sourced from PubChem (CID 165155198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).