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

C25H43NO4Si5 — CID 139630694

IUPAC4-[4-[[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]methyl]phenyl]benzonitrile
SMILESC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)Cc1ccc(-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C25H43NO4Si5/c1-31(2,3)27-33(6,7)29-35(10,11)30-34(8,9)28-32(4,5)21-23-14-18-25(19-15-23)24-16-12-22(20-26)13-17-24/h12-19H,21H2,1-11H3
InChIKeyBFJFLJCNULEFDB-UHFFFAOYSA-N
MW562.05 g/mol
LogP7.52
Rot. Bonds11

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

4-[4-[[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]methyl]phenyl]benzonitrile (PubChem CID 139630694) has the molecular formula C25H43NO4Si5 and a molecular weight of 562.05 g/mol. Its IUPAC name is 4-[4-[[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]methyl]phenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-[[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]methyl]phenyl]benzonitrile
PubChem CID139630694
Molecular FormulaC25H43NO4Si5
Molecular Weight562.05 g/mol
Exact Mass561.20
IUPAC Name4-[4-[[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]methyl]phenyl]benzonitrile
SMILESC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)Cc1ccc(-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C25H43NO4Si5/c1-31(2,3)27-33(6,7)29-35(10,11)30-34(8,9)28-32(4,5)21-23-14-18-25(19-15-23)24-16-12-22(20-26)13-17-24/h12-19H,21H2,1-11H3
InChIKeyBFJFLJCNULEFDB-UHFFFAOYSA-N
XLogP7.52
TPSA60.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.05
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethyl]phenyl]benzonitrile
CID 139630539
4-[4-[[[[[[[decyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]methyl]phenyl]benzonitrile
CID 139630655
4-[4-[2-[[[[[ethyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethyl]phenyl]benzonitrile
CID 139630753
4-[4-[[[dimethyl(pentyl)silyl]oxy-dimethylsilyl]methyl]phenyl]benzonitrile
CID 139630608
4-[4-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]benzonitrile
CID 139630574
4-[4-[[[[dimethyl(pentyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]benzonitrile
CID 139630716
4-[4-[[[[hexyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]benzonitrile
CID 139630672
4-[[4-(4-cyanophenyl)phenyl]methyl]benzonitrile
CID 71089118
4-[4-[[[diethyl(prop-1-enyl)silyl]oxy-diethylsilyl]methyl]phenyl]benzonitrile
CID 139630788
4-[4-[6-[[6-[4-(4-cyanophenyl)phenyl]hexyl-[6-[4-(4-cyanophenyl)phenyl]hexyl-[6-[4-(4-cyanophenyl)phenyl]hexyl-[6-[4-(4-cyanophenyl)phenyl]hexyl-[2-hydroxyethyl(dimethyl)silyl]oxy-methylsilyl]oxy-methylsilyl]oxy-methylsilyl]oxy-methylsilyl]oxy-[2-hydroxyethyl(dimethyl)silyl]oxy-methylsilyl]hexyl]phenyl]benzonitrile
CID 101053859
[dimethyl(trimethylsilyloxy)silyl]oxy-[[[[[[[[[[[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]methyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane
CID 158304380
4-[4-[3-(2-ethoxyethoxy)propyl]phenyl]benzonitrile
CID 143637420

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]methyl]phenyl]benzonitrile?
The IUPAC name of 4-[4-[[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]methyl]phenyl]benzonitrile (CID 139630694) is 4-[4-[[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]methyl]phenyl]benzonitrile.
What is the SMILES notation for 4-[4-[[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]methyl]phenyl]benzonitrile?
The canonical SMILES for 4-[4-[[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]methyl]phenyl]benzonitrile is C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)Cc1ccc(-c2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-[4-[[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]methyl]phenyl]benzonitrile?
The InChIKey is BFJFLJCNULEFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43NO4Si5/c1-31(2,3)27-33(6,7)29-35(10,11)30-34(8,9)28-32(4,5)21-23-14-18-25(19-15-23)24-16-12-22(20-26)13-17-24/h12-19H,21H2,1-11H3.
What are the key properties of 4-[4-[[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]methyl]phenyl]benzonitrile?
4-[4-[[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]methyl]phenyl]benzonitrile has a molecular weight of 562.05 g/mol, XLogP of 7.52, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]methyl]phenyl]benzonitrile is sourced from PubChem (CID 139630694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).