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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(benzotriazol-2-yl)-4,6-dimethylphenol
CID 90698610
1,3-bis[[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]methyl]imidazolidin-2-one
CID 139995346
2-(benzotriazol-2-yl)-4-methyl-6-tri(propan-2-yl)silylphenol
CID 148702623
CID 123992515
CID 123992515
1-[[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]methyl]-3,5,5-trimethylimidazolidine-2,4-dione
CID 23382335
4-[[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]methyl-methylamino]benzaldehyde
CID 154932011
2-(5-chlorobenzotriazol-2-yl)-6-(chloromethyl)-4-methylphenol
CID 67294335
2-(benzotriazol-2-yl)-4-methyl-6-[2-methyl-3-(2,2,6,6-tetramethyl-3-trimethylsilyloxyoxadisilinan-3-yl)propyl]phenol
CID 175400873
2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;2-(benzotriazol-2-yl)-6-[3-[dimethoxy(methyl)silyl]-2-methylpropyl]-4-methylphenol
CID 161266299
1-[[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]methyl]indole-3-carbaldehyde
CID 152961018
1-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]-2-methylprop-2-en-1-one
CID 71581988
2-[[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]methyl]-4,5-dihydroisoindole-1,3-diol
CID 54341419

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).