4-[2-[4-[2-[3-cyanopropyl(dimethyl)silyl]ethynyl]phenyl]ethynyl-dimethylsilyl]butanenitrile

C22H28N2Si2 — CID 10571600

IUPAC4-[2-[4-[2-[3-cyanopropyl(dimethyl)silyl]ethynyl]phenyl]ethynyl-dimethylsilyl]butanenitrile
SMILESC[Si](C)(C#Cc1ccc(C#C[Si](C)(C)CCCC#N)cc1)CCCC#N
InChIInChI=1S/C22H28N2Si2/c1-25(2,17-7-5-15-23)19-13-21-9-11-22(12-10-21)14-20-26(3,4)18-8-6-16-24/h9-12H,5-8,17-18H2,1-4H3
InChIKeyKAVIJEVZGGJTSH-UHFFFAOYSA-N
MW376.65 g/mol
LogP5.49
Rot. Bonds6

About 4-[2-[4-[2-[3-cyanopropyl(dimethyl)silyl]ethynyl]phenyl]ethynyl-dimethylsilyl]butanenitrile

4-[2-[4-[2-[3-cyanopropyl(dimethyl)silyl]ethynyl]phenyl]ethynyl-dimethylsilyl]butanenitrile (PubChem CID 10571600) has the molecular formula C22H28N2Si2 and a molecular weight of 376.65 g/mol. Its IUPAC name is 4-[2-[4-[2-[3-cyanopropyl(dimethyl)silyl]ethynyl]phenyl]ethynyl-dimethylsilyl]butanenitrile.

Molecular Properties

Compound Name4-[2-[4-[2-[3-cyanopropyl(dimethyl)silyl]ethynyl]phenyl]ethynyl-dimethylsilyl]butanenitrile
PubChem CID10571600
Molecular FormulaC22H28N2Si2
Molecular Weight376.65 g/mol
Exact Mass376.18
IUPAC Name4-[2-[4-[2-[3-cyanopropyl(dimethyl)silyl]ethynyl]phenyl]ethynyl-dimethylsilyl]butanenitrile
SMILESC[Si](C)(C#Cc1ccc(C#C[Si](C)(C)CCCC#N)cc1)CCCC#N
InChIInChI=1S/C22H28N2Si2/c1-25(2,17-7-5-15-23)19-13-21-9-11-22(12-10-21)14-20-26(3,4)18-8-6-16-24/h9-12H,5-8,17-18H2,1-4H3
InChIKeyKAVIJEVZGGJTSH-UHFFFAOYSA-N
XLogP5.49
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.65
LogP ≤ 55.49
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[2-[3-cyanopropyl(dimethyl)silyl]ethynyl]phenyl]ethynyl-dimethylsilyl]butanenitrile?
The IUPAC name of 4-[2-[4-[2-[3-cyanopropyl(dimethyl)silyl]ethynyl]phenyl]ethynyl-dimethylsilyl]butanenitrile (CID 10571600) is 4-[2-[4-[2-[3-cyanopropyl(dimethyl)silyl]ethynyl]phenyl]ethynyl-dimethylsilyl]butanenitrile.
What is the SMILES notation for 4-[2-[4-[2-[3-cyanopropyl(dimethyl)silyl]ethynyl]phenyl]ethynyl-dimethylsilyl]butanenitrile?
The canonical SMILES for 4-[2-[4-[2-[3-cyanopropyl(dimethyl)silyl]ethynyl]phenyl]ethynyl-dimethylsilyl]butanenitrile is C[Si](C)(C#Cc1ccc(C#C[Si](C)(C)CCCC#N)cc1)CCCC#N.
What is the InChIKey of 4-[2-[4-[2-[3-cyanopropyl(dimethyl)silyl]ethynyl]phenyl]ethynyl-dimethylsilyl]butanenitrile?
The InChIKey is KAVIJEVZGGJTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2Si2/c1-25(2,17-7-5-15-23)19-13-21-9-11-22(12-10-21)14-20-26(3,4)18-8-6-16-24/h9-12H,5-8,17-18H2,1-4H3.
What are the key properties of 4-[2-[4-[2-[3-cyanopropyl(dimethyl)silyl]ethynyl]phenyl]ethynyl-dimethylsilyl]butanenitrile?
4-[2-[4-[2-[3-cyanopropyl(dimethyl)silyl]ethynyl]phenyl]ethynyl-dimethylsilyl]butanenitrile has a molecular weight of 376.65 g/mol, XLogP of 5.49, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[2-[3-cyanopropyl(dimethyl)silyl]ethynyl]phenyl]ethynyl-dimethylsilyl]butanenitrile is sourced from PubChem (CID 10571600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).