2-tert-butyl-6-[dimethyl-[methyl(5,6,7,8-tetrahydronaphthalen-1-yl)amino]silyl]phenol;dichlorozirconium

C23H33Cl2NOSiZr — CID 123507589

IUPAC2-tert-butyl-6-[dimethyl-[methyl(5,6,7,8-tetrahydronaphthalen-1-yl)amino]silyl]phenol;dichlorozirconium
SMILESCN(c1cccc2c1CCCC2)[Si](C)(C)c1cccc(C(C)(C)C)c1O.Cl[Zr]Cl
InChIInChI=1S/C23H33NOSi.2ClH.Zr/c1-23(2,3)19-14-10-16-21(22(19)25)26(5,6)24(4)20-15-9-12-17-11-7-8-13-18(17)20;;;/h9-10,12,14-16,25H,7-8,11,13H2,1-6H3;2*1H;/q;;;+2/p-2
InChIKeyIDGGGWDJYPDXPH-UHFFFAOYSA-L
MW529.74 g/mol
LogP6.49
Rot. Bonds3

About 2-tert-butyl-6-[dimethyl-[methyl(5,6,7,8-tetrahydronaphthalen-1-yl)amino]silyl]phenol;dichlorozirconium

2-tert-butyl-6-[dimethyl-[methyl(5,6,7,8-tetrahydronaphthalen-1-yl)amino]silyl]phenol;dichlorozirconium (PubChem CID 123507589) has the molecular formula C23H33Cl2NOSiZr and a molecular weight of 529.74 g/mol. Its IUPAC name is 2-tert-butyl-6-[dimethyl-[methyl(5,6,7,8-tetrahydronaphthalen-1-yl)amino]silyl]phenol;dichlorozirconium.

Molecular Properties

Compound Name2-tert-butyl-6-[dimethyl-[methyl(5,6,7,8-tetrahydronaphthalen-1-yl)amino]silyl]phenol;dichlorozirconium
PubChem CID123507589
Molecular FormulaC23H33Cl2NOSiZr
Molecular Weight529.74 g/mol
Exact Mass527.08
IUPAC Name2-tert-butyl-6-[dimethyl-[methyl(5,6,7,8-tetrahydronaphthalen-1-yl)amino]silyl]phenol;dichlorozirconium
SMILESCN(c1cccc2c1CCCC2)[Si](C)(C)c1cccc(C(C)(C)C)c1O.Cl[Zr]Cl
InChIInChI=1S/C23H33NOSi.2ClH.Zr/c1-23(2,3)19-14-10-16-21(22(19)25)26(5,6)24(4)20-15-9-12-17-11-7-8-13-18(17)20;;;/h9-10,12,14-16,25H,7-8,11,13H2,1-6H3;2*1H;/q;;;+2/p-2
InChIKeyIDGGGWDJYPDXPH-UHFFFAOYSA-L
XLogP6.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.74
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-tert-butyl-6-[dimethyl-[methyl(5,6,7,8-tetrahydronaphthalen-1-yl)amino]silyl]phenol;dichlorozirconium?
The IUPAC name of 2-tert-butyl-6-[dimethyl-[methyl(5,6,7,8-tetrahydronaphthalen-1-yl)amino]silyl]phenol;dichlorozirconium (CID 123507589) is 2-tert-butyl-6-[dimethyl-[methyl(5,6,7,8-tetrahydronaphthalen-1-yl)amino]silyl]phenol;dichlorozirconium.
What is the SMILES notation for 2-tert-butyl-6-[dimethyl-[methyl(5,6,7,8-tetrahydronaphthalen-1-yl)amino]silyl]phenol;dichlorozirconium?
The canonical SMILES for 2-tert-butyl-6-[dimethyl-[methyl(5,6,7,8-tetrahydronaphthalen-1-yl)amino]silyl]phenol;dichlorozirconium is CN(c1cccc2c1CCCC2)[Si](C)(C)c1cccc(C(C)(C)C)c1O.Cl[Zr]Cl.
What is the InChIKey of 2-tert-butyl-6-[dimethyl-[methyl(5,6,7,8-tetrahydronaphthalen-1-yl)amino]silyl]phenol;dichlorozirconium?
The InChIKey is IDGGGWDJYPDXPH-UHFFFAOYSA-L. The full InChI is InChI=1S/C23H33NOSi.2ClH.Zr/c1-23(2,3)19-14-10-16-21(22(19)25)26(5,6)24(4)20-15-9-12-17-11-7-8-13-18(17)20;;;/h9-10,12,14-16,25H,7-8,11,13H2,1-6H3;2*1H;/q;;;+2/p-2.
What are the key properties of 2-tert-butyl-6-[dimethyl-[methyl(5,6,7,8-tetrahydronaphthalen-1-yl)amino]silyl]phenol;dichlorozirconium?
2-tert-butyl-6-[dimethyl-[methyl(5,6,7,8-tetrahydronaphthalen-1-yl)amino]silyl]phenol;dichlorozirconium has a molecular weight of 529.74 g/mol, XLogP of 6.49, 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-[methyl(5,6,7,8-tetrahydronaphthalen-1-yl)amino]silyl]phenol;dichlorozirconium is sourced from PubChem (CID 123507589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).