2-[[(1-cyano-4-phenoxybutyl)-dimethylsilyl]oxy-dimethylsilyl]-5-phenoxypentanenitrile

C26H36N2O3Si2 — CID 54058322

IUPAC2-[[(1-cyano-4-phenoxybutyl)-dimethylsilyl]oxy-dimethylsilyl]-5-phenoxypentanenitrile
SMILESC[Si](C)(O[Si](C)(C)C(C#N)CCCOc1ccccc1)C(C#N)CCCOc1ccccc1
InChIInChI=1S/C26H36N2O3Si2/c1-32(2,25(21-27)17-11-19-29-23-13-7-5-8-14-23)31-33(3,4)26(22-28)18-12-20-30-24-15-9-6-10-16-24/h5-10,13-16,25-26H,11-12,17-20H2,1-4H3
InChIKeyLXWBXLLUVJIMRU-UHFFFAOYSA-N
MW480.76 g/mol
LogP6.92
Rot. Bonds14

About 2-[[(1-cyano-4-phenoxybutyl)-dimethylsilyl]oxy-dimethylsilyl]-5-phenoxypentanenitrile

2-[[(1-cyano-4-phenoxybutyl)-dimethylsilyl]oxy-dimethylsilyl]-5-phenoxypentanenitrile (PubChem CID 54058322) has the molecular formula C26H36N2O3Si2 and a molecular weight of 480.76 g/mol. Its IUPAC name is 2-[[(1-cyano-4-phenoxybutyl)-dimethylsilyl]oxy-dimethylsilyl]-5-phenoxypentanenitrile.

Molecular Properties

Compound Name2-[[(1-cyano-4-phenoxybutyl)-dimethylsilyl]oxy-dimethylsilyl]-5-phenoxypentanenitrile
PubChem CID54058322
Molecular FormulaC26H36N2O3Si2
Molecular Weight480.76 g/mol
Exact Mass480.23
IUPAC Name2-[[(1-cyano-4-phenoxybutyl)-dimethylsilyl]oxy-dimethylsilyl]-5-phenoxypentanenitrile
SMILESC[Si](C)(O[Si](C)(C)C(C#N)CCCOc1ccccc1)C(C#N)CCCOc1ccccc1
InChIInChI=1S/C26H36N2O3Si2/c1-32(2,25(21-27)17-11-19-29-23-13-7-5-8-14-23)31-33(3,4)26(22-28)18-12-20-30-24-15-9-6-10-16-24/h5-10,13-16,25-26H,11-12,17-20H2,1-4H3
InChIKeyLXWBXLLUVJIMRU-UHFFFAOYSA-N
XLogP6.92
TPSA75.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.76
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[(1-cyano-4-phenoxybutyl)-dimethylsilyl]oxy-dimethylsilyl]-5-phenoxypentanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-cyano-4-phenoxybutyl)-dimethylsilyl]oxy-dimethylsilyl]-5-phenoxypentanenitrile?
The IUPAC name of 2-[[(1-cyano-4-phenoxybutyl)-dimethylsilyl]oxy-dimethylsilyl]-5-phenoxypentanenitrile (CID 54058322) is 2-[[(1-cyano-4-phenoxybutyl)-dimethylsilyl]oxy-dimethylsilyl]-5-phenoxypentanenitrile.
What is the SMILES notation for 2-[[(1-cyano-4-phenoxybutyl)-dimethylsilyl]oxy-dimethylsilyl]-5-phenoxypentanenitrile?
The canonical SMILES for 2-[[(1-cyano-4-phenoxybutyl)-dimethylsilyl]oxy-dimethylsilyl]-5-phenoxypentanenitrile is C[Si](C)(O[Si](C)(C)C(C#N)CCCOc1ccccc1)C(C#N)CCCOc1ccccc1.
What is the InChIKey of 2-[[(1-cyano-4-phenoxybutyl)-dimethylsilyl]oxy-dimethylsilyl]-5-phenoxypentanenitrile?
The InChIKey is LXWBXLLUVJIMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O3Si2/c1-32(2,25(21-27)17-11-19-29-23-13-7-5-8-14-23)31-33(3,4)26(22-28)18-12-20-30-24-15-9-6-10-16-24/h5-10,13-16,25-26H,11-12,17-20H2,1-4H3.
What are the key properties of 2-[[(1-cyano-4-phenoxybutyl)-dimethylsilyl]oxy-dimethylsilyl]-5-phenoxypentanenitrile?
2-[[(1-cyano-4-phenoxybutyl)-dimethylsilyl]oxy-dimethylsilyl]-5-phenoxypentanenitrile has a molecular weight of 480.76 g/mol, XLogP of 6.92, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-cyano-4-phenoxybutyl)-dimethylsilyl]oxy-dimethylsilyl]-5-phenoxypentanenitrile is sourced from PubChem (CID 54058322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).