[diphenyl-(2,3,4-trimethylphenyl)silyl]oxy-methyl-phenyl-trimethylsilyloxysilane

C31H38O2Si3 — CID 151212547

IUPAC[diphenyl-(2,3,4-trimethylphenyl)silyl]oxy-methyl-phenyl-trimethylsilyloxysilane
SMILESCc1ccc([Si](O[Si](C)(O[Si](C)(C)C)c2ccccc2)(c2ccccc2)c2ccccc2)c(C)c1C
InChIInChI=1S/C31H38O2Si3/c1-25-23-24-31(27(3)26(25)2)36(29-19-13-9-14-20-29,30-21-15-10-16-22-30)33-35(7,32-34(4,5)6)28-17-11-8-12-18-28/h8-24H,1-7H3
InChIKeyNKORRDNRDPUZHC-UHFFFAOYSA-N
MW526.90 g/mol
LogP5.43
Rot. Bonds8

About [diphenyl-(2,3,4-trimethylphenyl)silyl]oxy-methyl-phenyl-trimethylsilyloxysilane

[diphenyl-(2,3,4-trimethylphenyl)silyl]oxy-methyl-phenyl-trimethylsilyloxysilane (PubChem CID 151212547) has the molecular formula C31H38O2Si3 and a molecular weight of 526.90 g/mol. Its IUPAC name is [diphenyl-(2,3,4-trimethylphenyl)silyl]oxy-methyl-phenyl-trimethylsilyloxysilane.

Molecular Properties

Compound Name[diphenyl-(2,3,4-trimethylphenyl)silyl]oxy-methyl-phenyl-trimethylsilyloxysilane
PubChem CID151212547
Molecular FormulaC31H38O2Si3
Molecular Weight526.90 g/mol
Exact Mass526.22
IUPAC Name[diphenyl-(2,3,4-trimethylphenyl)silyl]oxy-methyl-phenyl-trimethylsilyloxysilane
SMILESCc1ccc([Si](O[Si](C)(O[Si](C)(C)C)c2ccccc2)(c2ccccc2)c2ccccc2)c(C)c1C
InChIInChI=1S/C31H38O2Si3/c1-25-23-24-31(27(3)26(25)2)36(29-19-13-9-14-20-29,30-21-15-10-16-22-30)33-35(7,32-34(4,5)6)28-17-11-8-12-18-28/h8-24H,1-7H3
InChIKeyNKORRDNRDPUZHC-UHFFFAOYSA-N
XLogP5.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.90
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [diphenyl-(2,3,4-trimethylphenyl)silyl]oxy-methyl-phenyl-trimethylsilyloxysilane?
The IUPAC name of [diphenyl-(2,3,4-trimethylphenyl)silyl]oxy-methyl-phenyl-trimethylsilyloxysilane (CID 151212547) is [diphenyl-(2,3,4-trimethylphenyl)silyl]oxy-methyl-phenyl-trimethylsilyloxysilane.
What is the SMILES notation for [diphenyl-(2,3,4-trimethylphenyl)silyl]oxy-methyl-phenyl-trimethylsilyloxysilane?
The canonical SMILES for [diphenyl-(2,3,4-trimethylphenyl)silyl]oxy-methyl-phenyl-trimethylsilyloxysilane is Cc1ccc([Si](O[Si](C)(O[Si](C)(C)C)c2ccccc2)(c2ccccc2)c2ccccc2)c(C)c1C.
What is the InChIKey of [diphenyl-(2,3,4-trimethylphenyl)silyl]oxy-methyl-phenyl-trimethylsilyloxysilane?
The InChIKey is NKORRDNRDPUZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38O2Si3/c1-25-23-24-31(27(3)26(25)2)36(29-19-13-9-14-20-29,30-21-15-10-16-22-30)33-35(7,32-34(4,5)6)28-17-11-8-12-18-28/h8-24H,1-7H3.
What are the key properties of [diphenyl-(2,3,4-trimethylphenyl)silyl]oxy-methyl-phenyl-trimethylsilyloxysilane?
[diphenyl-(2,3,4-trimethylphenyl)silyl]oxy-methyl-phenyl-trimethylsilyloxysilane has a molecular weight of 526.90 g/mol, XLogP of 5.43, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [diphenyl-(2,3,4-trimethylphenyl)silyl]oxy-methyl-phenyl-trimethylsilyloxysilane is sourced from PubChem (CID 151212547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).