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

C26H36N2O3Si2 — CID 70477989

IUPAC5-[[(4-cyano-4-phenoxybutyl)-dimethylsilyl]oxy-dimethylsilyl]-2-phenoxypentanenitrile
SMILESC[Si](C)(CCCC(C#N)Oc1ccccc1)O[Si](C)(C)CCCC(C#N)Oc1ccccc1
InChIInChI=1S/C26H36N2O3Si2/c1-32(2,19-11-17-25(21-27)29-23-13-7-5-8-14-23)31-33(3,4)20-12-18-26(22-28)30-24-15-9-6-10-16-24/h5-10,13-16,25-26H,11-12,17-20H2,1-4H3
InChIKeyCXDCQDVSWJPPPE-UHFFFAOYSA-N
MW480.76 g/mol
LogP6.92
Rot. Bonds14

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

5-[[(4-cyano-4-phenoxybutyl)-dimethylsilyl]oxy-dimethylsilyl]-2-phenoxypentanenitrile (PubChem CID 70477989) has the molecular formula C26H36N2O3Si2 and a molecular weight of 480.76 g/mol. Its IUPAC name is 5-[[(4-cyano-4-phenoxybutyl)-dimethylsilyl]oxy-dimethylsilyl]-2-phenoxypentanenitrile.

Molecular Properties

Compound Name5-[[(4-cyano-4-phenoxybutyl)-dimethylsilyl]oxy-dimethylsilyl]-2-phenoxypentanenitrile
PubChem CID70477989
Molecular FormulaC26H36N2O3Si2
Molecular Weight480.76 g/mol
Exact Mass480.23
IUPAC Name5-[[(4-cyano-4-phenoxybutyl)-dimethylsilyl]oxy-dimethylsilyl]-2-phenoxypentanenitrile
SMILESC[Si](C)(CCCC(C#N)Oc1ccccc1)O[Si](C)(C)CCCC(C#N)Oc1ccccc1
InChIInChI=1S/C26H36N2O3Si2/c1-32(2,19-11-17-25(21-27)29-23-13-7-5-8-14-23)31-33(3,4)20-12-18-26(22-28)30-24-15-9-6-10-16-24/h5-10,13-16,25-26H,11-12,17-20H2,1-4H3
InChIKeyCXDCQDVSWJPPPE-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': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[(4-cyano-4-phenoxybutyl)-dimethylsilyl]oxy-dimethylsilyl]-2-phenoxypentanenitrile?
The IUPAC name of 5-[[(4-cyano-4-phenoxybutyl)-dimethylsilyl]oxy-dimethylsilyl]-2-phenoxypentanenitrile (CID 70477989) is 5-[[(4-cyano-4-phenoxybutyl)-dimethylsilyl]oxy-dimethylsilyl]-2-phenoxypentanenitrile.
What is the SMILES notation for 5-[[(4-cyano-4-phenoxybutyl)-dimethylsilyl]oxy-dimethylsilyl]-2-phenoxypentanenitrile?
The canonical SMILES for 5-[[(4-cyano-4-phenoxybutyl)-dimethylsilyl]oxy-dimethylsilyl]-2-phenoxypentanenitrile is C[Si](C)(CCCC(C#N)Oc1ccccc1)O[Si](C)(C)CCCC(C#N)Oc1ccccc1.
What is the InChIKey of 5-[[(4-cyano-4-phenoxybutyl)-dimethylsilyl]oxy-dimethylsilyl]-2-phenoxypentanenitrile?
The InChIKey is CXDCQDVSWJPPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O3Si2/c1-32(2,19-11-17-25(21-27)29-23-13-7-5-8-14-23)31-33(3,4)20-12-18-26(22-28)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 5-[[(4-cyano-4-phenoxybutyl)-dimethylsilyl]oxy-dimethylsilyl]-2-phenoxypentanenitrile?
5-[[(4-cyano-4-phenoxybutyl)-dimethylsilyl]oxy-dimethylsilyl]-2-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 5-[[(4-cyano-4-phenoxybutyl)-dimethylsilyl]oxy-dimethylsilyl]-2-phenoxypentanenitrile is sourced from PubChem (CID 70477989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).