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

C36H67NO5Si6 — CID 139630655

IUPAC4-[4-[[[[[[[decyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]methyl]phenyl]benzonitrile
SMILESCCCCCCCCCC[Si](C)(C)O[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/C36H67NO5Si6/c1-14-15-16-17-18-19-20-21-30-43(2,3)38-45(6,7)40-47(10,11)42-48(12,13)41-46(8,9)39-44(4,5)32-34-24-28-36(29-25-34)35-26-22-33(31-37)23-27-35/h22-29H,14-21,30,32H2,1-13H3
InChIKeyOOUZZOFZXWGABH-UHFFFAOYSA-N
MW762.45 g/mol
LogP11.75
Rot. Bonds22

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

4-[4-[[[[[[[decyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]methyl]phenyl]benzonitrile (PubChem CID 139630655) has the molecular formula C36H67NO5Si6 and a molecular weight of 762.45 g/mol. Its IUPAC name is 4-[4-[[[[[[[decyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]methyl]phenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-[[[[[[[decyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]methyl]phenyl]benzonitrile
PubChem CID139630655
Molecular FormulaC36H67NO5Si6
Molecular Weight762.45 g/mol
Exact Mass761.36
IUPAC Name4-[4-[[[[[[[decyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]methyl]phenyl]benzonitrile
SMILESCCCCCCCCCC[Si](C)(C)O[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/C36H67NO5Si6/c1-14-15-16-17-18-19-20-21-30-43(2,3)38-45(6,7)40-47(10,11)42-48(12,13)41-46(8,9)39-44(4,5)32-34-24-28-36(29-25-34)35-26-22-33(31-37)23-27-35/h22-29H,14-21,30,32H2,1-13H3
InChIKeyOOUZZOFZXWGABH-UHFFFAOYSA-N
XLogP11.75
TPSA69.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds22
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.45
LogP ≤ 511.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[4-[[[[[[[decyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]methyl]phenyl]benzonitrile with MolForge

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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-[[[[dimethyl(pentyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]benzonitrile
CID 139630716
4-[4-[[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]methyl]phenyl]benzonitrile
CID 139630694
4-[4-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]phenyl]benzonitrile
CID 139630574
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-[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
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-[2-[4-(4-octoxyphenyl)phenyl]ethyl]benzonitrile
CID 71401201
4-[4-(1-bromohexoxy)phenyl]benzonitrile
CID 163213630

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[[[[[[decyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]methyl]phenyl]benzonitrile?
The IUPAC name of 4-[4-[[[[[[[decyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]methyl]phenyl]benzonitrile (CID 139630655) is 4-[4-[[[[[[[decyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]methyl]phenyl]benzonitrile.
What is the SMILES notation for 4-[4-[[[[[[[decyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]methyl]phenyl]benzonitrile?
The canonical SMILES for 4-[4-[[[[[[[decyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]methyl]phenyl]benzonitrile is CCCCCCCCCC[Si](C)(C)O[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-[[[[[[[decyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]methyl]phenyl]benzonitrile?
The InChIKey is OOUZZOFZXWGABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H67NO5Si6/c1-14-15-16-17-18-19-20-21-30-43(2,3)38-45(6,7)40-47(10,11)42-48(12,13)41-46(8,9)39-44(4,5)32-34-24-28-36(29-25-34)35-26-22-33(31-37)23-27-35/h22-29H,14-21,30,32H2,1-13H3.
What are the key properties of 4-[4-[[[[[[[decyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]methyl]phenyl]benzonitrile?
4-[4-[[[[[[[decyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]methyl]phenyl]benzonitrile has a molecular weight of 762.45 g/mol, XLogP of 11.75, 22 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[[[[[[decyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]methyl]phenyl]benzonitrile is sourced from PubChem (CID 139630655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).