bis(2-methylpropan-2-ol);bis(tributyl(hydroxy)silane);zirconium

C32H76O4Si2Zr — CID 140942554

IUPACbis(2-methylpropan-2-ol);bis(tributyl(hydroxy)silane);zirconium
SMILESCC(C)(C)O.CC(C)(C)O.CCCC[Si](O)(CCCC)CCCC.CCCC[Si](O)(CCCC)CCCC.[Zr]
InChIInChI=1S/2C12H28OSi.2C4H10O.Zr/c2*1-4-7-10-14(13,11-8-5-2)12-9-6-3;2*1-4(2,3)5;/h2*13H,4-12H2,1-3H3;2*5H,1-3H3;
InChIKeyKYOXNXGBUFVXHJ-UHFFFAOYSA-N
MW672.35 g/mol
LogP10.20
Rot. Bonds18

About bis(2-methylpropan-2-ol);bis(tributyl(hydroxy)silane);zirconium

bis(2-methylpropan-2-ol);bis(tributyl(hydroxy)silane);zirconium (PubChem CID 140942554) has the molecular formula C32H76O4Si2Zr and a molecular weight of 672.35 g/mol. Its IUPAC name is bis(2-methylpropan-2-ol);bis(tributyl(hydroxy)silane);zirconium.

Molecular Properties

Compound Namebis(2-methylpropan-2-ol);bis(tributyl(hydroxy)silane);zirconium
PubChem CID140942554
Molecular FormulaC32H76O4Si2Zr
Molecular Weight672.35 g/mol
Exact Mass670.43
IUPAC Namebis(2-methylpropan-2-ol);bis(tributyl(hydroxy)silane);zirconium
SMILESCC(C)(C)O.CC(C)(C)O.CCCC[Si](O)(CCCC)CCCC.CCCC[Si](O)(CCCC)CCCC.[Zr]
InChIInChI=1S/2C12H28OSi.2C4H10O.Zr/c2*1-4-7-10-14(13,11-8-5-2)12-9-6-3;2*1-4(2,3)5;/h2*13H,4-12H2,1-3H3;2*5H,1-3H3;
InChIKeyKYOXNXGBUFVXHJ-UHFFFAOYSA-N
XLogP10.20
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.35
LogP ≤ 510.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze bis(2-methylpropan-2-ol);bis(tributyl(hydroxy)silane);zirconium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(2-methylpropan-2-ol);bis(tributyl(hydroxy)silane);zirconium?
The IUPAC name of bis(2-methylpropan-2-ol);bis(tributyl(hydroxy)silane);zirconium (CID 140942554) is bis(2-methylpropan-2-ol);bis(tributyl(hydroxy)silane);zirconium.
What is the SMILES notation for bis(2-methylpropan-2-ol);bis(tributyl(hydroxy)silane);zirconium?
The canonical SMILES for bis(2-methylpropan-2-ol);bis(tributyl(hydroxy)silane);zirconium is CC(C)(C)O.CC(C)(C)O.CCCC[Si](O)(CCCC)CCCC.CCCC[Si](O)(CCCC)CCCC.[Zr].
What is the InChIKey of bis(2-methylpropan-2-ol);bis(tributyl(hydroxy)silane);zirconium?
The InChIKey is KYOXNXGBUFVXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H28OSi.2C4H10O.Zr/c2*1-4-7-10-14(13,11-8-5-2)12-9-6-3;2*1-4(2,3)5;/h2*13H,4-12H2,1-3H3;2*5H,1-3H3;.
What are the key properties of bis(2-methylpropan-2-ol);bis(tributyl(hydroxy)silane);zirconium?
bis(2-methylpropan-2-ol);bis(tributyl(hydroxy)silane);zirconium has a molecular weight of 672.35 g/mol, XLogP of 10.20, 18 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpropan-2-ol);bis(tributyl(hydroxy)silane);zirconium is sourced from PubChem (CID 140942554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).