4-[4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethyl]phenyl]benzonitrile

C24H39NO3Si4 — CID 139630539

IUPAC4-[4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethyl]phenyl]benzonitrile
SMILESC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCc1ccc(-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C24H39NO3Si4/c1-29(2,3)26-31(6,7)28-32(8,9)27-30(4,5)19-18-21-10-14-23(15-11-21)24-16-12-22(20-25)13-17-24/h10-17H,18-19H2,1-9H3
InChIKeyFMJLIACNJLQOHC-UHFFFAOYSA-N
MW501.92 g/mol
LogP7.26
Rot. Bonds10

About 4-[4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethyl]phenyl]benzonitrile

4-[4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethyl]phenyl]benzonitrile (PubChem CID 139630539) has the molecular formula C24H39NO3Si4 and a molecular weight of 501.92 g/mol. Its IUPAC name is 4-[4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethyl]phenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethyl]phenyl]benzonitrile
PubChem CID139630539
Molecular FormulaC24H39NO3Si4
Molecular Weight501.92 g/mol
Exact Mass501.20
IUPAC Name4-[4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethyl]phenyl]benzonitrile
SMILESC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCc1ccc(-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C24H39NO3Si4/c1-29(2,3)26-31(6,7)28-32(8,9)27-30(4,5)19-18-21-10-14-23(15-11-21)24-16-12-22(20-25)13-17-24/h10-17H,18-19H2,1-9H3
InChIKeyFMJLIACNJLQOHC-UHFFFAOYSA-N
XLogP7.26
TPSA51.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.92
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethyl]phenyl]benzonitrile?
The IUPAC name of 4-[4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethyl]phenyl]benzonitrile (CID 139630539) is 4-[4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethyl]phenyl]benzonitrile.
What is the SMILES notation for 4-[4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethyl]phenyl]benzonitrile?
The canonical SMILES for 4-[4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethyl]phenyl]benzonitrile is C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCc1ccc(-c2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-[4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethyl]phenyl]benzonitrile?
The InChIKey is FMJLIACNJLQOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39NO3Si4/c1-29(2,3)26-31(6,7)28-32(8,9)27-30(4,5)19-18-21-10-14-23(15-11-21)24-16-12-22(20-25)13-17-24/h10-17H,18-19H2,1-9H3.
What are the key properties of 4-[4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethyl]phenyl]benzonitrile?
4-[4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethyl]phenyl]benzonitrile has a molecular weight of 501.92 g/mol, XLogP of 7.26, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethyl]phenyl]benzonitrile is sourced from PubChem (CID 139630539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).