tributyl(phenyl)silane

C18H32Si — CID 4206594

IUPACtributyl(phenyl)silane
SMILESCCCC[Si](CCCC)(CCCC)c1ccccc1
InChIInChI=1S/C18H32Si/c1-4-7-15-19(16-8-5-2,17-9-6-3)18-13-11-10-12-14-18/h10-14H,4-9,15-17H2,1-3H3
InChIKeyNPUNKNNUCDLBRS-UHFFFAOYSA-N
MW276.54 g/mol
LogP5.74
Rot. Bonds10

About tributyl(phenyl)silane

tributyl(phenyl)silane (PubChem CID 4206594) has the molecular formula C18H32Si and a molecular weight of 276.54 g/mol. Its IUPAC name is tributyl(phenyl)silane.

Molecular Properties

Compound Nametributyl(phenyl)silane
PubChem CID4206594
Molecular FormulaC18H32Si
Molecular Weight276.54 g/mol
Exact Mass276.23
IUPAC Nametributyl(phenyl)silane
SMILESCCCC[Si](CCCC)(CCCC)c1ccccc1
InChIInChI=1S/C18H32Si/c1-4-7-15-19(16-8-5-2,17-9-6-3)18-13-11-10-12-14-18/h10-14H,4-9,15-17H2,1-3H3
InChIKeyNPUNKNNUCDLBRS-UHFFFAOYSA-N
XLogP5.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.54
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 tributyl(phenyl)silane?
The IUPAC name of tributyl(phenyl)silane (CID 4206594) is tributyl(phenyl)silane.
What is the SMILES notation for tributyl(phenyl)silane?
The canonical SMILES for tributyl(phenyl)silane is CCCC[Si](CCCC)(CCCC)c1ccccc1.
What is the InChIKey of tributyl(phenyl)silane?
The InChIKey is NPUNKNNUCDLBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32Si/c1-4-7-15-19(16-8-5-2,17-9-6-3)18-13-11-10-12-14-18/h10-14H,4-9,15-17H2,1-3H3.
What are the key properties of tributyl(phenyl)silane?
tributyl(phenyl)silane has a molecular weight of 276.54 g/mol, XLogP of 5.74, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(phenyl)silane is sourced from PubChem (CID 4206594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).