1-butoxy-3-[2-[3-[[[3-[2-(3-butoxy-2-hydroxypropoxy)ethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethoxy]propan-2-ol

C30H68O10Si3 — CID 59187881

About 1-butoxy-3-[2-[3-[[[3-[2-(3-butoxy-2-hydroxypropoxy)ethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethoxy]propan-2-ol

1-butoxy-3-[2-[3-[[[3-[2-(3-butoxy-2-hydroxypropoxy)ethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethoxy]propan-2-ol (PubChem CID 59187881) has the molecular formula C30H68O10Si3 and a molecular weight of 673.12 g/mol. Its IUPAC name is 1-butoxy-3-[2-[3-[[[3-[2-(3-butoxy-2-hydroxypropoxy)ethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethoxy]propan-2-ol.

Molecular Properties

• Compound Name: 1-butoxy-3-[2-[3-[[[3-[2-(3-butoxy-2-hydroxypropoxy)ethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethoxy]propan-2-ol
• PubChem CID: 59187881
• Molecular Formula: C30H68O10Si3
• Molecular Weight: 673.12 g/mol
• Exact Mass: 672.41
• IUPAC Name: 1-butoxy-3-[2-[3-[[[3-[2-(3-butoxy-2-hydroxypropoxy)ethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethoxy]propan-2-ol
• SMILES: CCCCOCC(O)COCCOCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCOCCOCC(O)COCCCC
• InChI: InChI=1S/C30H68O10Si3/c1-9-11-15-35-25-29(31)27-37-21-19-33-17-13-23-41(3,4)39-43(7,8)40-42(5,6)24-14-18-34-20-22-38-28-30(32)26-36-16-12-10-2/h29-32H,9-28H2,1-8H3
• InChIKey: PYEACMIZOWUWJF-UHFFFAOYSA-N
• XLogP: 5.33
• TPSA: 114.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 32
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	673.12
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

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-butoxy-3-[2-[3-[[[3-[2-(3-butoxy-2-hydroxypropoxy)ethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethoxy]propan-2-ol?

The IUPAC name of 1-butoxy-3-[2-[3-[[[3-[2-(3-butoxy-2-hydroxypropoxy)ethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethoxy]propan-2-ol (CID 59187881) is 1-butoxy-3-[2-[3-[[[3-[2-(3-butoxy-2-hydroxypropoxy)ethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethoxy]propan-2-ol.

What is the SMILES notation for 1-butoxy-3-[2-[3-[[[3-[2-(3-butoxy-2-hydroxypropoxy)ethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethoxy]propan-2-ol?

The canonical SMILES for 1-butoxy-3-[2-[3-[[[3-[2-(3-butoxy-2-hydroxypropoxy)ethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethoxy]propan-2-ol is CCCCOCC(O)COCCOCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCOCCOCC(O)COCCCC.

What is the InChIKey of 1-butoxy-3-[2-[3-[[[3-[2-(3-butoxy-2-hydroxypropoxy)ethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethoxy]propan-2-ol?

The InChIKey is PYEACMIZOWUWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H68O10Si3/c1-9-11-15-35-25-29(31)27-37-21-19-33-17-13-23-41(3,4)39-43(7,8)40-42(5,6)24-14-18-34-20-22-38-28-30(32)26-36-16-12-10-2/h29-32H,9-28H2,1-8H3.

What are the key properties of 1-butoxy-3-[2-[3-[[[3-[2-(3-butoxy-2-hydroxypropoxy)ethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethoxy]propan-2-ol?

1-butoxy-3-[2-[3-[[[3-[2-(3-butoxy-2-hydroxypropoxy)ethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethoxy]propan-2-ol has a molecular weight of 673.12 g/mol, XLogP of 5.33, 32 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-butoxy-3-[2-[3-[[[3-[2-(3-butoxy-2-hydroxypropoxy)ethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethoxy]propan-2-ol is sourced from PubChem (CID 59187881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).