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

C24H35NO2Si2 — CID 139630778

IUPAC4-[4-[[[hexyl(dimethyl)silyl]oxy-dimethylsilyl]methoxy]phenyl]benzonitrile
SMILESCCCCCC[Si](C)(C)O[Si](C)(C)COc1ccc(-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C24H35NO2Si2/c1-6-7-8-9-18-28(2,3)27-29(4,5)20-26-24-16-14-23(15-17-24)22-12-10-21(19-25)11-13-22/h10-17H,6-9,18,20H2,1-5H3
InChIKeyVUXSIYDGYCJRHP-UHFFFAOYSA-N
MW425.72 g/mol
LogP7.15
Rot. Bonds11

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

4-[4-[[[hexyl(dimethyl)silyl]oxy-dimethylsilyl]methoxy]phenyl]benzonitrile (PubChem CID 139630778) has the molecular formula C24H35NO2Si2 and a molecular weight of 425.72 g/mol. Its IUPAC name is 4-[4-[[[hexyl(dimethyl)silyl]oxy-dimethylsilyl]methoxy]phenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-[[[hexyl(dimethyl)silyl]oxy-dimethylsilyl]methoxy]phenyl]benzonitrile
PubChem CID139630778
Molecular FormulaC24H35NO2Si2
Molecular Weight425.72 g/mol
Exact Mass425.22
IUPAC Name4-[4-[[[hexyl(dimethyl)silyl]oxy-dimethylsilyl]methoxy]phenyl]benzonitrile
SMILESCCCCCC[Si](C)(C)O[Si](C)(C)COc1ccc(-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C24H35NO2Si2/c1-6-7-8-9-18-28(2,3)27-29(4,5)20-26-24-16-14-23(15-17-24)22-12-10-21(19-25)11-13-22/h10-17H,6-9,18,20H2,1-5H3
InChIKeyVUXSIYDGYCJRHP-UHFFFAOYSA-N
XLogP7.15
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.72
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[[[dimethyl(pentyl)silyl]oxy-dimethylsilyl]methyl]phenyl]benzonitrile
CID 139630608
4-[4-[[[[hexyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]benzonitrile
CID 139630672
4-[4-[[[[[[[decyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]methyl]phenyl]benzonitrile
CID 139630655
4-[4-[5-[[but-3-enyl(dimethyl)silyl]oxy-dimethylsilyl]pentoxy]phenyl]benzonitrile
CID 101341578
4-[4-[[[[dimethyl(pentyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]benzonitrile
CID 139630716
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-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]benzonitrile
CID 139630574
[4-(4-cyanophenyl)phenyl] 11-[[dimethyl-[3-[tris[3-[[[11-[4-(4-cyanophenyl)phenoxy]-11-oxoundecyl]-dimethylsilyl]oxy-dimethylsilyl]propyl]silyl]propyl]silyl]oxy-dimethylsilyl]undecanoate
CID 101258067
4-decoxybenzonitrile
CID 19021371
4-[2-[4-(4-octoxyphenyl)phenyl]ethyl]benzonitrile
CID 71401201
4-[4-[10-[dimethyl(trimethylsilyl)silyl]decoxy]phenyl]benzonitrile
CID 102198253
4-[4-[7-[4-[4-[7-[4-(4-cyanophenyl)phenoxy]heptoxy]phenyl]phenoxy]heptoxy]phenyl]benzonitrile
CID 15322371

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[[hexyl(dimethyl)silyl]oxy-dimethylsilyl]methoxy]phenyl]benzonitrile?
The IUPAC name of 4-[4-[[[hexyl(dimethyl)silyl]oxy-dimethylsilyl]methoxy]phenyl]benzonitrile (CID 139630778) is 4-[4-[[[hexyl(dimethyl)silyl]oxy-dimethylsilyl]methoxy]phenyl]benzonitrile.
What is the SMILES notation for 4-[4-[[[hexyl(dimethyl)silyl]oxy-dimethylsilyl]methoxy]phenyl]benzonitrile?
The canonical SMILES for 4-[4-[[[hexyl(dimethyl)silyl]oxy-dimethylsilyl]methoxy]phenyl]benzonitrile is CCCCCC[Si](C)(C)O[Si](C)(C)COc1ccc(-c2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-[4-[[[hexyl(dimethyl)silyl]oxy-dimethylsilyl]methoxy]phenyl]benzonitrile?
The InChIKey is VUXSIYDGYCJRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35NO2Si2/c1-6-7-8-9-18-28(2,3)27-29(4,5)20-26-24-16-14-23(15-17-24)22-12-10-21(19-25)11-13-22/h10-17H,6-9,18,20H2,1-5H3.
What are the key properties of 4-[4-[[[hexyl(dimethyl)silyl]oxy-dimethylsilyl]methoxy]phenyl]benzonitrile?
4-[4-[[[hexyl(dimethyl)silyl]oxy-dimethylsilyl]methoxy]phenyl]benzonitrile has a molecular weight of 425.72 g/mol, XLogP of 7.15, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[[hexyl(dimethyl)silyl]oxy-dimethylsilyl]methoxy]phenyl]benzonitrile is sourced from PubChem (CID 139630778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).