4-[4-[[[[dimethyl(pentyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]benzonitrile

C26H43NO3Si4 — CID 139630716

IUPAC4-[4-[[[[dimethyl(pentyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]benzonitrile
SMILESCCCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)c1ccc(-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C26H43NO3Si4/c1-10-11-12-21-31(2,3)28-33(6,7)30-34(8,9)29-32(4,5)26-19-17-25(18-20-26)24-15-13-23(22-27)14-16-24/h13-20H,10-12,21H2,1-9H3
InChIKeySIFGXZCWDQHGSG-UHFFFAOYSA-N
MW529.98 g/mol
LogP7.49
Rot. Bonds12

About 4-[4-[[[[dimethyl(pentyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]benzonitrile

4-[4-[[[[dimethyl(pentyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]benzonitrile (PubChem CID 139630716) has the molecular formula C26H43NO3Si4 and a molecular weight of 529.98 g/mol. Its IUPAC name is 4-[4-[[[[dimethyl(pentyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-[[[[dimethyl(pentyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]benzonitrile
PubChem CID139630716
Molecular FormulaC26H43NO3Si4
Molecular Weight529.98 g/mol
Exact Mass529.23
IUPAC Name4-[4-[[[[dimethyl(pentyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]benzonitrile
SMILESCCCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)c1ccc(-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C26H43NO3Si4/c1-10-11-12-21-31(2,3)28-33(6,7)30-34(8,9)29-32(4,5)26-19-17-25(18-20-26)24-15-13-23(22-27)14-16-24/h13-20H,10-12,21H2,1-9H3
InChIKeySIFGXZCWDQHGSG-UHFFFAOYSA-N
XLogP7.49
TPSA51.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.98
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[[[[hexyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]benzonitrile
CID 139630672
4-[4-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]benzonitrile
CID 139630574
4-[4-[[[[[[[decyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]methyl]phenyl]benzonitrile
CID 139630655
4-[4-[[[dimethyl(pentyl)silyl]oxy-dimethylsilyl]methyl]phenyl]benzonitrile
CID 139630608
4-[4-[[[hexyl(dimethyl)silyl]oxy-dimethylsilyl]methoxy]phenyl]benzonitrile
CID 139630778
4-[4-[2-[[[[[ethyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethyl]phenyl]benzonitrile
CID 139630753
4-[4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethyl]phenyl]benzonitrile
CID 139630539
[4-[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]boronic acid
CID 150927118
4-[4-[[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]methyl]phenyl]benzonitrile
CID 139630694
4-[4-(1-bromohexoxy)phenyl]benzonitrile
CID 163213630
4-[4-[5-[[5-[3-[5-[[5-[4-(4-cyanophenyl)phenoxy]pentyl-dimethylsilyl]oxy-dimethylsilyl]pentoxy]-2,2-bis[5-[[5-[4-(4-cyanophenyl)phenoxy]pentyl-dimethylsilyl]oxy-dimethylsilyl]pentoxymethyl]propoxy]pentyl-dimethylsilyl]oxy-dimethylsilyl]pentoxy]phenyl]benzonitrile
CID 101264340
4-[4-[5-[[but-3-enyl(dimethyl)silyl]oxy-dimethylsilyl]pentoxy]phenyl]benzonitrile
CID 101341578

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[[[dimethyl(pentyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]benzonitrile?
The IUPAC name of 4-[4-[[[[dimethyl(pentyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]benzonitrile (CID 139630716) is 4-[4-[[[[dimethyl(pentyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]benzonitrile.
What is the SMILES notation for 4-[4-[[[[dimethyl(pentyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]benzonitrile?
The canonical SMILES for 4-[4-[[[[dimethyl(pentyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]benzonitrile is CCCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)c1ccc(-c2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-[4-[[[[dimethyl(pentyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]benzonitrile?
The InChIKey is SIFGXZCWDQHGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43NO3Si4/c1-10-11-12-21-31(2,3)28-33(6,7)30-34(8,9)29-32(4,5)26-19-17-25(18-20-26)24-15-13-23(22-27)14-16-24/h13-20H,10-12,21H2,1-9H3.
What are the key properties of 4-[4-[[[[dimethyl(pentyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]benzonitrile?
4-[4-[[[[dimethyl(pentyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]benzonitrile has a molecular weight of 529.98 g/mol, XLogP of 7.49, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[[[dimethyl(pentyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]benzonitrile is sourced from PubChem (CID 139630716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).