lithium hydroxy-[oxido(diphenyl)silyl]oxy-diphenylsilane

C24H21LiO3Si2 — CID 101499167

IUPAClithium hydroxy-[oxido(diphenyl)silyl]oxy-diphenylsilane
SMILES[Li+].[O-][Si](O[Si](O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H21O3Si2.Li/c25-28(21-13-5-1-6-14-21,22-15-7-2-8-16-22)27-29(26,23-17-9-3-10-18-23)24-19-11-4-12-20-24;/h1-20,25H;/q-1;+1
InChIKeyYIGLDTHALBOIDT-UHFFFAOYSA-N
MW420.54 g/mol
LogP-2.13
Rot. Bonds6

About lithium hydroxy-[oxido(diphenyl)silyl]oxy-diphenylsilane

lithium hydroxy-[oxido(diphenyl)silyl]oxy-diphenylsilane (PubChem CID 101499167) has the molecular formula C24H21LiO3Si2 and a molecular weight of 420.54 g/mol. Its IUPAC name is lithium hydroxy-[oxido(diphenyl)silyl]oxy-diphenylsilane.

Molecular Properties

Compound Namelithium hydroxy-[oxido(diphenyl)silyl]oxy-diphenylsilane
PubChem CID101499167
Molecular FormulaC24H21LiO3Si2
Molecular Weight420.54 g/mol
Exact Mass420.12
IUPAC Namelithium hydroxy-[oxido(diphenyl)silyl]oxy-diphenylsilane
SMILES[Li+].[O-][Si](O[Si](O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H21O3Si2.Li/c25-28(21-13-5-1-6-14-21,22-15-7-2-8-16-22)27-29(26,23-17-9-3-10-18-23)24-19-11-4-12-20-24;/h1-20,25H;/q-1;+1
InChIKeyYIGLDTHALBOIDT-UHFFFAOYSA-N
XLogP-2.13
TPSA52.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 5-2.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 lithium hydroxy-[oxido(diphenyl)silyl]oxy-diphenylsilane?
The IUPAC name of lithium hydroxy-[oxido(diphenyl)silyl]oxy-diphenylsilane (CID 101499167) is lithium hydroxy-[oxido(diphenyl)silyl]oxy-diphenylsilane.
What is the SMILES notation for lithium hydroxy-[oxido(diphenyl)silyl]oxy-diphenylsilane?
The canonical SMILES for lithium hydroxy-[oxido(diphenyl)silyl]oxy-diphenylsilane is [Li+].[O-][Si](O[Si](O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of lithium hydroxy-[oxido(diphenyl)silyl]oxy-diphenylsilane?
The InChIKey is YIGLDTHALBOIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21O3Si2.Li/c25-28(21-13-5-1-6-14-21,22-15-7-2-8-16-22)27-29(26,23-17-9-3-10-18-23)24-19-11-4-12-20-24;/h1-20,25H;/q-1;+1.
What are the key properties of lithium hydroxy-[oxido(diphenyl)silyl]oxy-diphenylsilane?
lithium hydroxy-[oxido(diphenyl)silyl]oxy-diphenylsilane has a molecular weight of 420.54 g/mol, XLogP of -2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium hydroxy-[oxido(diphenyl)silyl]oxy-diphenylsilane is sourced from PubChem (CID 101499167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).