lithium [bromo-[methyl(diphenyl)silyl]methyl]-methyl-diphenylsilane

C27H26BrLiSi2 — CID 177421733

IUPAClithium [bromo-[methyl(diphenyl)silyl]methyl]-methyl-diphenylsilane
SMILESC[Si](c1ccccc1)(c1ccccc1)[C-](Br)[Si](C)(c1ccccc1)c1ccccc1.[Li+]
InChIInChI=1S/C27H26BrSi2.Li/c1-29(23-15-7-3-8-16-23,24-17-9-4-10-18-24)27(28)30(2,25-19-11-5-12-20-25)26-21-13-6-14-22-26;/h3-22H,1-2H3;/q-1;+1
InChIKeySPPFIRKBNXOBPU-UHFFFAOYSA-N
MW493.52 g/mol
LogP1.78
Rot. Bonds6

About lithium [bromo-[methyl(diphenyl)silyl]methyl]-methyl-diphenylsilane

lithium [bromo-[methyl(diphenyl)silyl]methyl]-methyl-diphenylsilane (PubChem CID 177421733) has the molecular formula C27H26BrLiSi2 and a molecular weight of 493.52 g/mol. Its IUPAC name is lithium [bromo-[methyl(diphenyl)silyl]methyl]-methyl-diphenylsilane.

Molecular Properties

Compound Namelithium [bromo-[methyl(diphenyl)silyl]methyl]-methyl-diphenylsilane
PubChem CID177421733
Molecular FormulaC27H26BrLiSi2
Molecular Weight493.52 g/mol
Exact Mass492.09
IUPAC Namelithium [bromo-[methyl(diphenyl)silyl]methyl]-methyl-diphenylsilane
SMILESC[Si](c1ccccc1)(c1ccccc1)[C-](Br)[Si](C)(c1ccccc1)c1ccccc1.[Li+]
InChIInChI=1S/C27H26BrSi2.Li/c1-29(23-15-7-3-8-16-23,24-17-9-4-10-18-24)27(28)30(2,25-19-11-5-12-20-25)26-21-13-6-14-22-26;/h3-22H,1-2H3;/q-1;+1
InChIKeySPPFIRKBNXOBPU-UHFFFAOYSA-N
XLogP1.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.52
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium [bromo-[methyl(diphenyl)silyl]methyl]-methyl-diphenylsilane?
The IUPAC name of lithium [bromo-[methyl(diphenyl)silyl]methyl]-methyl-diphenylsilane (CID 177421733) is lithium [bromo-[methyl(diphenyl)silyl]methyl]-methyl-diphenylsilane.
What is the SMILES notation for lithium [bromo-[methyl(diphenyl)silyl]methyl]-methyl-diphenylsilane?
The canonical SMILES for lithium [bromo-[methyl(diphenyl)silyl]methyl]-methyl-diphenylsilane is C[Si](c1ccccc1)(c1ccccc1)[C-](Br)[Si](C)(c1ccccc1)c1ccccc1.[Li+].
What is the InChIKey of lithium [bromo-[methyl(diphenyl)silyl]methyl]-methyl-diphenylsilane?
The InChIKey is SPPFIRKBNXOBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26BrSi2.Li/c1-29(23-15-7-3-8-16-23,24-17-9-4-10-18-24)27(28)30(2,25-19-11-5-12-20-25)26-21-13-6-14-22-26;/h3-22H,1-2H3;/q-1;+1.
What are the key properties of lithium [bromo-[methyl(diphenyl)silyl]methyl]-methyl-diphenylsilane?
lithium [bromo-[methyl(diphenyl)silyl]methyl]-methyl-diphenylsilane has a molecular weight of 493.52 g/mol, XLogP of 1.78, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [bromo-[methyl(diphenyl)silyl]methyl]-methyl-diphenylsilane is sourced from PubChem (CID 177421733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).