2-tert-butyl-6-[[dimethyl(phenyl)silyl]iminomethyl]phenol;dichlorozirconium

C19H25Cl2NOSiZr — CID 137095840

IUPAC2-tert-butyl-6-[[dimethyl(phenyl)silyl]iminomethyl]phenol;dichlorozirconium
SMILESCC(C)(C)c1cccc(C=N[Si](C)(C)c2ccccc2)c1O.Cl[Zr]Cl
InChIInChI=1S/C19H25NOSi.2ClH.Zr/c1-19(2,3)17-13-9-10-15(18(17)21)14-20-22(4,5)16-11-7-6-8-12-16;;;/h6-14,21H,1-5H3;2*1H;/q;;;+2/p-2
InChIKeyXUROMOXRJDERDO-UHFFFAOYSA-L
MW473.63 g/mol
LogP5.60
Rot. Bonds3

About 2-tert-butyl-6-[[dimethyl(phenyl)silyl]iminomethyl]phenol;dichlorozirconium

2-tert-butyl-6-[[dimethyl(phenyl)silyl]iminomethyl]phenol;dichlorozirconium (PubChem CID 137095840) has the molecular formula C19H25Cl2NOSiZr and a molecular weight of 473.63 g/mol. Its IUPAC name is 2-tert-butyl-6-[[dimethyl(phenyl)silyl]iminomethyl]phenol;dichlorozirconium.

Molecular Properties

Compound Name2-tert-butyl-6-[[dimethyl(phenyl)silyl]iminomethyl]phenol;dichlorozirconium
PubChem CID137095840
Molecular FormulaC19H25Cl2NOSiZr
Molecular Weight473.63 g/mol
Exact Mass471.01
IUPAC Name2-tert-butyl-6-[[dimethyl(phenyl)silyl]iminomethyl]phenol;dichlorozirconium
SMILESCC(C)(C)c1cccc(C=N[Si](C)(C)c2ccccc2)c1O.Cl[Zr]Cl
InChIInChI=1S/C19H25NOSi.2ClH.Zr/c1-19(2,3)17-13-9-10-15(18(17)21)14-20-22(4,5)16-11-7-6-8-12-16;;;/h6-14,21H,1-5H3;2*1H;/q;;;+2/p-2
InChIKeyXUROMOXRJDERDO-UHFFFAOYSA-L
XLogP5.60
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.63
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-tert-butyl-6-[[dimethyl(phenyl)silyl]iminomethyl]phenol;dichlorozirconium 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-[[3,5-bis(trimethylsilyl)phenyl]iminomethyl]-6-tert-butylphenol;dichlorozirconium
CID 137156914
bis(2-tert-butyl-6-(cyclopropyliminomethyl)phenol);dichlorozirconium
CID 139252627
bis(2-tert-butyl-6-(cyclohexyliminomethyl)phenol);dichlorozirconium
CID 139252629
bis(2-tert-butyl-6-(phenyliminomethyl)phenol);carbanide;hafnium
CID 139242538
bis(2-tert-butyl-6-[(2-chlorophenyl)iminomethyl]phenol);bis(2-tert-butyl-6-(methyliminomethyl)phenol);bis(dichlorotitanium);bis(dichlorozirconium)
CID 160877005
2-tert-butyl-6-[[2-[2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]phenol
CID 140501402
2-tert-butyl-6-[[(1R,2R)-2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenol;oxomanganese
CID 139264727
2-tert-butyl-6-(phenyliminomethyl)phenol;oxolane;trichlorotitanium
CID 5242456
2-tert-butyl-6-(naphthalen-1-yliminomethyl)phenol;dichlorotitanium
CID 175087881
CID 11225844
CID 11225844
2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]-2,4,6-trimethylphenyl]iminomethyl]phenol
CID 136835974
2-tert-butyl-6-(cyclohexyliminomethyl)phenol;dichlorotitanium
CID 175086437

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[[dimethyl(phenyl)silyl]iminomethyl]phenol;dichlorozirconium?
The IUPAC name of 2-tert-butyl-6-[[dimethyl(phenyl)silyl]iminomethyl]phenol;dichlorozirconium (CID 137095840) is 2-tert-butyl-6-[[dimethyl(phenyl)silyl]iminomethyl]phenol;dichlorozirconium.
What is the SMILES notation for 2-tert-butyl-6-[[dimethyl(phenyl)silyl]iminomethyl]phenol;dichlorozirconium?
The canonical SMILES for 2-tert-butyl-6-[[dimethyl(phenyl)silyl]iminomethyl]phenol;dichlorozirconium is CC(C)(C)c1cccc(C=N[Si](C)(C)c2ccccc2)c1O.Cl[Zr]Cl.
What is the InChIKey of 2-tert-butyl-6-[[dimethyl(phenyl)silyl]iminomethyl]phenol;dichlorozirconium?
The InChIKey is XUROMOXRJDERDO-UHFFFAOYSA-L. The full InChI is InChI=1S/C19H25NOSi.2ClH.Zr/c1-19(2,3)17-13-9-10-15(18(17)21)14-20-22(4,5)16-11-7-6-8-12-16;;;/h6-14,21H,1-5H3;2*1H;/q;;;+2/p-2.
What are the key properties of 2-tert-butyl-6-[[dimethyl(phenyl)silyl]iminomethyl]phenol;dichlorozirconium?
2-tert-butyl-6-[[dimethyl(phenyl)silyl]iminomethyl]phenol;dichlorozirconium has a molecular weight of 473.63 g/mol, XLogP of 5.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[[dimethyl(phenyl)silyl]iminomethyl]phenol;dichlorozirconium is sourced from PubChem (CID 137095840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).