4-[4-[10-[dimethyl(trimethylsilyl)silyl]decoxy]phenyl]benzonitrile

C28H43NOSi2 — CID 102198253

IUPAC4-[4-[10-[dimethyl(trimethylsilyl)silyl]decoxy]phenyl]benzonitrile
SMILESC[Si](C)(C)[Si](C)(C)CCCCCCCCCCOc1ccc(-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C28H43NOSi2/c1-31(2,3)32(4,5)23-13-11-9-7-6-8-10-12-22-30-28-20-18-27(19-21-28)26-16-14-25(24-29)15-17-26/h14-21H,6-13,22-23H2,1-5H3
InChIKeyLHCSNDSZZUPMAT-UHFFFAOYSA-N
MW465.83 g/mol
LogP8.85
Rot. Bonds14

About 4-[4-[10-[dimethyl(trimethylsilyl)silyl]decoxy]phenyl]benzonitrile

4-[4-[10-[dimethyl(trimethylsilyl)silyl]decoxy]phenyl]benzonitrile (PubChem CID 102198253) has the molecular formula C28H43NOSi2 and a molecular weight of 465.83 g/mol. Its IUPAC name is 4-[4-[10-[dimethyl(trimethylsilyl)silyl]decoxy]phenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-[10-[dimethyl(trimethylsilyl)silyl]decoxy]phenyl]benzonitrile
PubChem CID102198253
Molecular FormulaC28H43NOSi2
Molecular Weight465.83 g/mol
Exact Mass465.29
IUPAC Name4-[4-[10-[dimethyl(trimethylsilyl)silyl]decoxy]phenyl]benzonitrile
SMILESC[Si](C)(C)[Si](C)(C)CCCCCCCCCCOc1ccc(-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C28H43NOSi2/c1-31(2,3)32(4,5)23-13-11-9-7-6-8-10-12-22-30-28-20-18-27(19-21-28)26-16-14-25(24-29)15-17-26/h14-21H,6-13,22-23H2,1-5H3
InChIKeyLHCSNDSZZUPMAT-UHFFFAOYSA-N
XLogP8.85
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.83
LogP ≤ 58.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[7-[4-[4-[7-[4-(4-cyanophenyl)phenoxy]heptoxy]phenyl]phenoxy]heptoxy]phenyl]benzonitrile
CID 15322371
4-[4-[5-[[but-3-enyl(dimethyl)silyl]oxy-dimethylsilyl]pentoxy]phenyl]benzonitrile
CID 101341578
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-(11-bromoundecoxy)phenyl]benzonitrile
CID 19768950
4-[4-[7-[2-[7-[4-[4-[7-[2-[7-[4-(4-cyanophenyl)phenoxy]heptoxy]phenoxy]heptoxy]phenyl]phenoxy]heptoxy]phenoxy]heptoxy]phenyl]benzonitrile
CID 102084171
4-[4-(4-aminobutoxy)phenyl]benzonitrile
CID 19035301
4-decoxybenzonitrile
CID 19021371
4-[4-(4-oct-7-ynoxyphenyl)phenyl]benzonitrile
CID 102424245
4-[2-[4-(4-octoxyphenyl)phenyl]ethyl]benzonitrile
CID 71401201
4-[4-[6-(2,3,4,5,6-pentafluorophenoxy)hexoxy]phenyl]benzonitrile
CID 86004959
4-[4-(4-oct-3-ynoxyphenyl)phenyl]benzonitrile
CID 101464591
4-[4-[[[hexyl(dimethyl)silyl]oxy-dimethylsilyl]methoxy]phenyl]benzonitrile
CID 139630778

Frequently Asked Questions

What is the IUPAC name of 4-[4-[10-[dimethyl(trimethylsilyl)silyl]decoxy]phenyl]benzonitrile?
The IUPAC name of 4-[4-[10-[dimethyl(trimethylsilyl)silyl]decoxy]phenyl]benzonitrile (CID 102198253) is 4-[4-[10-[dimethyl(trimethylsilyl)silyl]decoxy]phenyl]benzonitrile.
What is the SMILES notation for 4-[4-[10-[dimethyl(trimethylsilyl)silyl]decoxy]phenyl]benzonitrile?
The canonical SMILES for 4-[4-[10-[dimethyl(trimethylsilyl)silyl]decoxy]phenyl]benzonitrile is C[Si](C)(C)[Si](C)(C)CCCCCCCCCCOc1ccc(-c2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-[4-[10-[dimethyl(trimethylsilyl)silyl]decoxy]phenyl]benzonitrile?
The InChIKey is LHCSNDSZZUPMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H43NOSi2/c1-31(2,3)32(4,5)23-13-11-9-7-6-8-10-12-22-30-28-20-18-27(19-21-28)26-16-14-25(24-29)15-17-26/h14-21H,6-13,22-23H2,1-5H3.
What are the key properties of 4-[4-[10-[dimethyl(trimethylsilyl)silyl]decoxy]phenyl]benzonitrile?
4-[4-[10-[dimethyl(trimethylsilyl)silyl]decoxy]phenyl]benzonitrile has a molecular weight of 465.83 g/mol, XLogP of 8.85, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[10-[dimethyl(trimethylsilyl)silyl]decoxy]phenyl]benzonitrile is sourced from PubChem (CID 102198253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).