1-[4-[2-[2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1-(4-propoxyphenyl)prop-2-yn-1-ol

C36H56O9Si — CID 164811356

About 1-[4-[2-[2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1-(4-propoxyphenyl)prop-2-yn-1-ol

1-[4-[2-[2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1-(4-propoxyphenyl)prop-2-yn-1-ol (PubChem CID 164811356) has the molecular formula C36H56O9Si and a molecular weight of 660.92 g/mol. Its IUPAC name is 1-[4-[2-[2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1-(4-propoxyphenyl)prop-2-yn-1-ol.

Molecular Properties

• Compound Name: 1-[4-[2-[2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1-(4-propoxyphenyl)prop-2-yn-1-ol
• PubChem CID: 164811356
• Molecular Formula: C36H56O9Si
• Molecular Weight: 660.92 g/mol
• Exact Mass: 660.37
• IUPAC Name: 1-[4-[2-[2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1-(4-propoxyphenyl)prop-2-yn-1-ol
• SMILES: C#CC(O)(c1ccc(OCCC)cc1)c1ccc(OCCOCCOCCOCCOCCOCCO[Si](C)(C)C(C)(C)C)cc1
• InChI: InChI=1S/C36H56O9Si/c1-8-18-43-33-14-10-31(11-15-33)36(37,9-2)32-12-16-34(17-13-32)44-29-27-41-25-23-39-21-19-38-20-22-40-24-26-42-28-30-45-46(6,7)35(3,4)5/h2,10-17,37H,8,18-30H2,1,3-7H3
• InChIKey: HYMRSNPEWSTROD-UHFFFAOYSA-N
• XLogP: 5.83
• TPSA: 94.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 25
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	660.92
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1-(4-propoxyphenyl)prop-2-yn-1-ol?

The IUPAC name of 1-[4-[2-[2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1-(4-propoxyphenyl)prop-2-yn-1-ol (CID 164811356) is 1-[4-[2-[2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1-(4-propoxyphenyl)prop-2-yn-1-ol.

What is the SMILES notation for 1-[4-[2-[2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1-(4-propoxyphenyl)prop-2-yn-1-ol?

The canonical SMILES for 1-[4-[2-[2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1-(4-propoxyphenyl)prop-2-yn-1-ol is C#CC(O)(c1ccc(OCCC)cc1)c1ccc(OCCOCCOCCOCCOCCOCCO[Si](C)(C)C(C)(C)C)cc1.

What is the InChIKey of 1-[4-[2-[2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1-(4-propoxyphenyl)prop-2-yn-1-ol?

The InChIKey is HYMRSNPEWSTROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H56O9Si/c1-8-18-43-33-14-10-31(11-15-33)36(37,9-2)32-12-16-34(17-13-32)44-29-27-41-25-23-39-21-19-38-20-22-40-24-26-42-28-30-45-46(6,7)35(3,4)5/h2,10-17,37H,8,18-30H2,1,3-7H3.

What are the key properties of 1-[4-[2-[2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1-(4-propoxyphenyl)prop-2-yn-1-ol?

1-[4-[2-[2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1-(4-propoxyphenyl)prop-2-yn-1-ol has a molecular weight of 660.92 g/mol, XLogP of 5.83, 25 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[2-[2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1-(4-propoxyphenyl)prop-2-yn-1-ol is sourced from PubChem (CID 164811356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).