(4-bromophenyl)-tributylsilane

C18H31BrSi — CID 154208001

IUPAC(4-bromophenyl)-tributylsilane
SMILESCCCC[Si](CCCC)(CCCC)c1ccc(Br)cc1
InChIInChI=1S/C18H31BrSi/c1-4-7-14-20(15-8-5-2,16-9-6-3)18-12-10-17(19)11-13-18/h10-13H,4-9,14-16H2,1-3H3
InChIKeyQNQXFGUWPZBCRR-UHFFFAOYSA-N
MW355.44 g/mol
LogP6.51
Rot. Bonds10

About (4-bromophenyl)-tributylsilane

(4-bromophenyl)-tributylsilane (PubChem CID 154208001) has the molecular formula C18H31BrSi and a molecular weight of 355.44 g/mol. Its IUPAC name is (4-bromophenyl)-tributylsilane.

Molecular Properties

Compound Name(4-bromophenyl)-tributylsilane
PubChem CID154208001
Molecular FormulaC18H31BrSi
Molecular Weight355.44 g/mol
Exact Mass354.14
IUPAC Name(4-bromophenyl)-tributylsilane
SMILESCCCC[Si](CCCC)(CCCC)c1ccc(Br)cc1
InChIInChI=1S/C18H31BrSi/c1-4-7-14-20(15-8-5-2,16-9-6-3)18-12-10-17(19)11-13-18/h10-13H,4-9,14-16H2,1-3H3
InChIKeyQNQXFGUWPZBCRR-UHFFFAOYSA-N
XLogP6.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 56.51
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 (4-bromophenyl)-tributylsilane?
The IUPAC name of (4-bromophenyl)-tributylsilane (CID 154208001) is (4-bromophenyl)-tributylsilane.
What is the SMILES notation for (4-bromophenyl)-tributylsilane?
The canonical SMILES for (4-bromophenyl)-tributylsilane is CCCC[Si](CCCC)(CCCC)c1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl)-tributylsilane?
The InChIKey is QNQXFGUWPZBCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31BrSi/c1-4-7-14-20(15-8-5-2,16-9-6-3)18-12-10-17(19)11-13-18/h10-13H,4-9,14-16H2,1-3H3.
What are the key properties of (4-bromophenyl)-tributylsilane?
(4-bromophenyl)-tributylsilane has a molecular weight of 355.44 g/mol, XLogP of 6.51, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-tributylsilane is sourced from PubChem (CID 154208001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).