2-tert-butyl-6-[dimethyl-[methyl(oxolan-2-yl)amino]silyl]phenol;dichlorozirconium

C17H29Cl2NO2SiZr — CID 123300836

IUPAC2-tert-butyl-6-[dimethyl-[methyl(oxolan-2-yl)amino]silyl]phenol;dichlorozirconium
SMILESCN(C1CCCO1)[Si](C)(C)c1cccc(C(C)(C)C)c1O.Cl[Zr]Cl
InChIInChI=1S/C17H29NO2Si.2ClH.Zr/c1-17(2,3)13-9-7-10-14(16(13)19)21(5,6)18(4)15-11-8-12-20-15;;;/h7,9-10,15,19H,8,11-12H2,1-6H3;2*1H;/q;;;+2/p-2
InChIKeyAIUKIAOYGYRQNM-UHFFFAOYSA-L
MW469.64 g/mol
LogP4.55
Rot. Bonds3

About 2-tert-butyl-6-[dimethyl-[methyl(oxolan-2-yl)amino]silyl]phenol;dichlorozirconium

2-tert-butyl-6-[dimethyl-[methyl(oxolan-2-yl)amino]silyl]phenol;dichlorozirconium (PubChem CID 123300836) has the molecular formula C17H29Cl2NO2SiZr and a molecular weight of 469.64 g/mol. Its IUPAC name is 2-tert-butyl-6-[dimethyl-[methyl(oxolan-2-yl)amino]silyl]phenol;dichlorozirconium.

Molecular Properties

Compound Name2-tert-butyl-6-[dimethyl-[methyl(oxolan-2-yl)amino]silyl]phenol;dichlorozirconium
PubChem CID123300836
Molecular FormulaC17H29Cl2NO2SiZr
Molecular Weight469.64 g/mol
Exact Mass467.04
IUPAC Name2-tert-butyl-6-[dimethyl-[methyl(oxolan-2-yl)amino]silyl]phenol;dichlorozirconium
SMILESCN(C1CCCO1)[Si](C)(C)c1cccc(C(C)(C)C)c1O.Cl[Zr]Cl
InChIInChI=1S/C17H29NO2Si.2ClH.Zr/c1-17(2,3)13-9-7-10-14(16(13)19)21(5,6)18(4)15-11-8-12-20-15;;;/h7,9-10,15,19H,8,11-12H2,1-6H3;2*1H;/q;;;+2/p-2
InChIKeyAIUKIAOYGYRQNM-UHFFFAOYSA-L
XLogP4.55
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.64
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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(oxolan-2-yl)amino]silyl]phenol;dichlorozirconium?
The IUPAC name of 2-tert-butyl-6-[dimethyl-[methyl(oxolan-2-yl)amino]silyl]phenol;dichlorozirconium (CID 123300836) is 2-tert-butyl-6-[dimethyl-[methyl(oxolan-2-yl)amino]silyl]phenol;dichlorozirconium.
What is the SMILES notation for 2-tert-butyl-6-[dimethyl-[methyl(oxolan-2-yl)amino]silyl]phenol;dichlorozirconium?
The canonical SMILES for 2-tert-butyl-6-[dimethyl-[methyl(oxolan-2-yl)amino]silyl]phenol;dichlorozirconium is CN(C1CCCO1)[Si](C)(C)c1cccc(C(C)(C)C)c1O.Cl[Zr]Cl.
What is the InChIKey of 2-tert-butyl-6-[dimethyl-[methyl(oxolan-2-yl)amino]silyl]phenol;dichlorozirconium?
The InChIKey is AIUKIAOYGYRQNM-UHFFFAOYSA-L. The full InChI is InChI=1S/C17H29NO2Si.2ClH.Zr/c1-17(2,3)13-9-7-10-14(16(13)19)21(5,6)18(4)15-11-8-12-20-15;;;/h7,9-10,15,19H,8,11-12H2,1-6H3;2*1H;/q;;;+2/p-2.
What are the key properties of 2-tert-butyl-6-[dimethyl-[methyl(oxolan-2-yl)amino]silyl]phenol;dichlorozirconium?
2-tert-butyl-6-[dimethyl-[methyl(oxolan-2-yl)amino]silyl]phenol;dichlorozirconium has a molecular weight of 469.64 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[dimethyl-[methyl(oxolan-2-yl)amino]silyl]phenol;dichlorozirconium is sourced from PubChem (CID 123300836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).