bromo-triphenyl-(1-trimethylsilylbut-3-enyl)-λ5-phosphane

C25H30BrPSi — CID 134888993

IUPACbromo-triphenyl-(1-trimethylsilylbut-3-enyl)-λ5-phosphane
SMILESC=CCC([Si](C)(C)C)P(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H30BrPSi/c1-5-15-25(28(2,3)4)27(26,22-16-9-6-10-17-22,23-18-11-7-12-19-23)24-20-13-8-14-21-24/h5-14,16-21,25H,1,15H2,2-4H3
InChIKeyPFTUEOSMXPVCFG-UHFFFAOYSA-N
MW469.48 g/mol
LogP6.65
Rot. Bonds7

About bromo-triphenyl-(1-trimethylsilylbut-3-enyl)-λ5-phosphane

bromo-triphenyl-(1-trimethylsilylbut-3-enyl)-λ5-phosphane (PubChem CID 134888993) has the molecular formula C25H30BrPSi and a molecular weight of 469.48 g/mol. Its IUPAC name is bromo-triphenyl-(1-trimethylsilylbut-3-enyl)-λ5-phosphane.

Molecular Properties

Compound Namebromo-triphenyl-(1-trimethylsilylbut-3-enyl)-λ5-phosphane
PubChem CID134888993
Molecular FormulaC25H30BrPSi
Molecular Weight469.48 g/mol
Exact Mass468.10
IUPAC Namebromo-triphenyl-(1-trimethylsilylbut-3-enyl)-λ5-phosphane
SMILESC=CCC([Si](C)(C)C)P(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H30BrPSi/c1-5-15-25(28(2,3)4)27(26,22-16-9-6-10-17-22,23-18-11-7-12-19-23)24-20-13-8-14-21-24/h5-14,16-21,25H,1,15H2,2-4H3
InChIKeyPFTUEOSMXPVCFG-UHFFFAOYSA-N
XLogP6.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.48
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bromo-triphenyl-(1-trimethylsilylbut-3-enyl)-λ5-phosphane?
The IUPAC name of bromo-triphenyl-(1-trimethylsilylbut-3-enyl)-λ5-phosphane (CID 134888993) is bromo-triphenyl-(1-trimethylsilylbut-3-enyl)-λ5-phosphane.
What is the SMILES notation for bromo-triphenyl-(1-trimethylsilylbut-3-enyl)-λ5-phosphane?
The canonical SMILES for bromo-triphenyl-(1-trimethylsilylbut-3-enyl)-λ5-phosphane is C=CCC([Si](C)(C)C)P(Br)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of bromo-triphenyl-(1-trimethylsilylbut-3-enyl)-λ5-phosphane?
The InChIKey is PFTUEOSMXPVCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30BrPSi/c1-5-15-25(28(2,3)4)27(26,22-16-9-6-10-17-22,23-18-11-7-12-19-23)24-20-13-8-14-21-24/h5-14,16-21,25H,1,15H2,2-4H3.
What are the key properties of bromo-triphenyl-(1-trimethylsilylbut-3-enyl)-λ5-phosphane?
bromo-triphenyl-(1-trimethylsilylbut-3-enyl)-λ5-phosphane has a molecular weight of 469.48 g/mol, XLogP of 6.65, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-triphenyl-(1-trimethylsilylbut-3-enyl)-λ5-phosphane is sourced from PubChem (CID 134888993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).