4-[4-[[[diethyl(prop-1-enyl)silyl]oxy-diethylsilyl]methyl]phenyl]benzonitrile

C25H35NOSi2 — CID 139630788

IUPAC4-[4-[[[diethyl(prop-1-enyl)silyl]oxy-diethylsilyl]methyl]phenyl]benzonitrile
SMILESCC=C[Si](CC)(CC)O[Si](CC)(CC)Cc1ccc(-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C25H35NOSi2/c1-6-19-28(7-2,8-3)27-29(9-4,10-5)21-23-13-17-25(18-14-23)24-15-11-22(20-26)12-16-24/h6,11-19H,7-10,21H2,1-5H3
InChIKeyGEBXLOKDACCGSE-UHFFFAOYSA-N
MW421.73 g/mol
LogP7.41
Rot. Bonds10

About 4-[4-[[[diethyl(prop-1-enyl)silyl]oxy-diethylsilyl]methyl]phenyl]benzonitrile

4-[4-[[[diethyl(prop-1-enyl)silyl]oxy-diethylsilyl]methyl]phenyl]benzonitrile (PubChem CID 139630788) has the molecular formula C25H35NOSi2 and a molecular weight of 421.73 g/mol. Its IUPAC name is 4-[4-[[[diethyl(prop-1-enyl)silyl]oxy-diethylsilyl]methyl]phenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-[[[diethyl(prop-1-enyl)silyl]oxy-diethylsilyl]methyl]phenyl]benzonitrile
PubChem CID139630788
Molecular FormulaC25H35NOSi2
Molecular Weight421.73 g/mol
Exact Mass421.23
IUPAC Name4-[4-[[[diethyl(prop-1-enyl)silyl]oxy-diethylsilyl]methyl]phenyl]benzonitrile
SMILESCC=C[Si](CC)(CC)O[Si](CC)(CC)Cc1ccc(-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C25H35NOSi2/c1-6-19-28(7-2,8-3)27-29(9-4,10-5)21-23-13-17-25(18-14-23)24-15-11-22(20-26)12-16-24/h6,11-19H,7-10,21H2,1-5H3
InChIKeyGEBXLOKDACCGSE-UHFFFAOYSA-N
XLogP7.41
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.73
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-[4-[[[diethyl(prop-1-enyl)silyl]oxy-diethylsilyl]methyl]phenyl]benzonitrile?
The IUPAC name of 4-[4-[[[diethyl(prop-1-enyl)silyl]oxy-diethylsilyl]methyl]phenyl]benzonitrile (CID 139630788) is 4-[4-[[[diethyl(prop-1-enyl)silyl]oxy-diethylsilyl]methyl]phenyl]benzonitrile.
What is the SMILES notation for 4-[4-[[[diethyl(prop-1-enyl)silyl]oxy-diethylsilyl]methyl]phenyl]benzonitrile?
The canonical SMILES for 4-[4-[[[diethyl(prop-1-enyl)silyl]oxy-diethylsilyl]methyl]phenyl]benzonitrile is CC=C[Si](CC)(CC)O[Si](CC)(CC)Cc1ccc(-c2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-[4-[[[diethyl(prop-1-enyl)silyl]oxy-diethylsilyl]methyl]phenyl]benzonitrile?
The InChIKey is GEBXLOKDACCGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NOSi2/c1-6-19-28(7-2,8-3)27-29(9-4,10-5)21-23-13-17-25(18-14-23)24-15-11-22(20-26)12-16-24/h6,11-19H,7-10,21H2,1-5H3.
What are the key properties of 4-[4-[[[diethyl(prop-1-enyl)silyl]oxy-diethylsilyl]methyl]phenyl]benzonitrile?
4-[4-[[[diethyl(prop-1-enyl)silyl]oxy-diethylsilyl]methyl]phenyl]benzonitrile has a molecular weight of 421.73 g/mol, XLogP of 7.41, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[[diethyl(prop-1-enyl)silyl]oxy-diethylsilyl]methyl]phenyl]benzonitrile is sourced from PubChem (CID 139630788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).