2-(benzotriazol-2-yl)-6-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]methyl]-4-methylphenol

C23H39N3O4Si4 — CID 21361938

IUPAC2-(benzotriazol-2-yl)-6-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]methyl]-4-methylphenol
SMILESCc1cc(C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)O[Si](C)(C)C)c(O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C23H39N3O4Si4/c1-18-15-19(23(27)22(16-18)26-24-20-13-11-12-14-21(20)25-26)17-34(10,29-32(5,6)7)30-33(8,9)28-31(2,3)4/h11-16,27H,17H2,1-10H3
InChIKeyKCQGXXWTGAOSJA-UHFFFAOYSA-N
MW533.93 g/mol
LogP6.01
Rot. Bonds9

About 2-(benzotriazol-2-yl)-6-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]methyl]-4-methylphenol

2-(benzotriazol-2-yl)-6-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]methyl]-4-methylphenol (PubChem CID 21361938) has the molecular formula C23H39N3O4Si4 and a molecular weight of 533.93 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-6-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]methyl]-4-methylphenol.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-6-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]methyl]-4-methylphenol
PubChem CID21361938
Molecular FormulaC23H39N3O4Si4
Molecular Weight533.93 g/mol
Exact Mass533.20
IUPAC Name2-(benzotriazol-2-yl)-6-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]methyl]-4-methylphenol
SMILESCc1cc(C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)O[Si](C)(C)C)c(O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C23H39N3O4Si4/c1-18-15-19(23(27)22(16-18)26-24-20-13-11-12-14-21(20)25-26)17-34(10,29-32(5,6)7)30-33(8,9)28-31(2,3)4/h11-16,27H,17H2,1-10H3
InChIKeyKCQGXXWTGAOSJA-UHFFFAOYSA-N
XLogP6.01
TPSA78.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.93
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 2-(benzotriazol-2-yl)-6-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]methyl]-4-methylphenol?
The IUPAC name of 2-(benzotriazol-2-yl)-6-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]methyl]-4-methylphenol (CID 21361938) is 2-(benzotriazol-2-yl)-6-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]methyl]-4-methylphenol.
What is the SMILES notation for 2-(benzotriazol-2-yl)-6-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]methyl]-4-methylphenol?
The canonical SMILES for 2-(benzotriazol-2-yl)-6-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]methyl]-4-methylphenol is Cc1cc(C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)O[Si](C)(C)C)c(O)c(-n2nc3ccccc3n2)c1.
What is the InChIKey of 2-(benzotriazol-2-yl)-6-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]methyl]-4-methylphenol?
The InChIKey is KCQGXXWTGAOSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N3O4Si4/c1-18-15-19(23(27)22(16-18)26-24-20-13-11-12-14-21(20)25-26)17-34(10,29-32(5,6)7)30-33(8,9)28-31(2,3)4/h11-16,27H,17H2,1-10H3.
What are the key properties of 2-(benzotriazol-2-yl)-6-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]methyl]-4-methylphenol?
2-(benzotriazol-2-yl)-6-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]methyl]-4-methylphenol has a molecular weight of 533.93 g/mol, XLogP of 6.01, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-6-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]methyl]-4-methylphenol is sourced from PubChem (CID 21361938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).