4-(8-trimethylsilylocta-1,3,5,7-tetraynyl)benzonitrile

C18H13NSi — CID 132599654

IUPAC4-(8-trimethylsilylocta-1,3,5,7-tetraynyl)benzonitrile
SMILESC[Si](C)(C)C#CC#CC#CC#Cc1ccc(C#N)cc1
InChIInChI=1S/C18H13NSi/c1-20(2,3)15-9-7-5-4-6-8-10-17-11-13-18(16-19)14-12-17/h11-14H,1-3H3
InChIKeyFPVZZVXQASRURN-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.80
Rot. Bonds

About 4-(8-trimethylsilylocta-1,3,5,7-tetraynyl)benzonitrile

4-(8-trimethylsilylocta-1,3,5,7-tetraynyl)benzonitrile (PubChem CID 132599654) has the molecular formula C18H13NSi and a molecular weight of 271.40 g/mol. Its IUPAC name is 4-(8-trimethylsilylocta-1,3,5,7-tetraynyl)benzonitrile.

Molecular Properties

Compound Name4-(8-trimethylsilylocta-1,3,5,7-tetraynyl)benzonitrile
PubChem CID132599654
Molecular FormulaC18H13NSi
Molecular Weight271.40 g/mol
Exact Mass271.08
IUPAC Name4-(8-trimethylsilylocta-1,3,5,7-tetraynyl)benzonitrile
SMILESC[Si](C)(C)C#CC#CC#CC#Cc1ccc(C#N)cc1
InChIInChI=1S/C18H13NSi/c1-20(2,3)15-9-7-5-4-6-8-10-17-11-13-18(16-19)14-12-17/h11-14H,1-3H3
InChIKeyFPVZZVXQASRURN-UHFFFAOYSA-N
XLogP2.80
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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-(8-trimethylsilylocta-1,3,5,7-tetraynyl)benzonitrile?
The IUPAC name of 4-(8-trimethylsilylocta-1,3,5,7-tetraynyl)benzonitrile (CID 132599654) is 4-(8-trimethylsilylocta-1,3,5,7-tetraynyl)benzonitrile.
What is the SMILES notation for 4-(8-trimethylsilylocta-1,3,5,7-tetraynyl)benzonitrile?
The canonical SMILES for 4-(8-trimethylsilylocta-1,3,5,7-tetraynyl)benzonitrile is C[Si](C)(C)C#CC#CC#CC#Cc1ccc(C#N)cc1.
What is the InChIKey of 4-(8-trimethylsilylocta-1,3,5,7-tetraynyl)benzonitrile?
The InChIKey is FPVZZVXQASRURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NSi/c1-20(2,3)15-9-7-5-4-6-8-10-17-11-13-18(16-19)14-12-17/h11-14H,1-3H3.
What are the key properties of 4-(8-trimethylsilylocta-1,3,5,7-tetraynyl)benzonitrile?
4-(8-trimethylsilylocta-1,3,5,7-tetraynyl)benzonitrile has a molecular weight of 271.40 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-trimethylsilylocta-1,3,5,7-tetraynyl)benzonitrile is sourced from PubChem (CID 132599654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).