bis(hydroxy-tris(2-methylpropyl)silane);bis(2-methylpropan-2-ol);titanium

C32H76O4Si2Ti — CID 140942254

IUPACbis(hydroxy-tris(2-methylpropyl)silane);bis(2-methylpropan-2-ol);titanium
SMILESCC(C)(C)O.CC(C)(C)O.CC(C)C[Si](O)(CC(C)C)CC(C)C.CC(C)C[Si](O)(CC(C)C)CC(C)C.[Ti]
InChIInChI=1S/2C12H28OSi.2C4H10O.Ti/c2*1-10(2)7-14(13,8-11(3)4)9-12(5)6;2*1-4(2,3)5;/h2*10-13H,7-9H2,1-6H3;2*5H,1-3H3;
InChIKeyIVTXDCHFFIYGPW-UHFFFAOYSA-N
MW629.00 g/mol
LogP9.34
Rot. Bonds12

About bis(hydroxy-tris(2-methylpropyl)silane);bis(2-methylpropan-2-ol);titanium

bis(hydroxy-tris(2-methylpropyl)silane);bis(2-methylpropan-2-ol);titanium (PubChem CID 140942254) has the molecular formula C32H76O4Si2Ti and a molecular weight of 629.00 g/mol. Its IUPAC name is bis(hydroxy-tris(2-methylpropyl)silane);bis(2-methylpropan-2-ol);titanium.

Molecular Properties

Compound Namebis(hydroxy-tris(2-methylpropyl)silane);bis(2-methylpropan-2-ol);titanium
PubChem CID140942254
Molecular FormulaC32H76O4Si2Ti
Molecular Weight629.00 g/mol
Exact Mass628.48
IUPAC Namebis(hydroxy-tris(2-methylpropyl)silane);bis(2-methylpropan-2-ol);titanium
SMILESCC(C)(C)O.CC(C)(C)O.CC(C)C[Si](O)(CC(C)C)CC(C)C.CC(C)C[Si](O)(CC(C)C)CC(C)C.[Ti]
InChIInChI=1S/2C12H28OSi.2C4H10O.Ti/c2*1-10(2)7-14(13,8-11(3)4)9-12(5)6;2*1-4(2,3)5;/h2*10-13H,7-9H2,1-6H3;2*5H,1-3H3;
InChIKeyIVTXDCHFFIYGPW-UHFFFAOYSA-N
XLogP9.34
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.00
LogP ≤ 59.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze bis(hydroxy-tris(2-methylpropyl)silane);bis(2-methylpropan-2-ol);titanium 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(hydroxy-tris(2-methylpropyl)silane);bis(2-methylpropan-2-ol);titanium?
The IUPAC name of bis(hydroxy-tris(2-methylpropyl)silane);bis(2-methylpropan-2-ol);titanium (CID 140942254) is bis(hydroxy-tris(2-methylpropyl)silane);bis(2-methylpropan-2-ol);titanium.
What is the SMILES notation for bis(hydroxy-tris(2-methylpropyl)silane);bis(2-methylpropan-2-ol);titanium?
The canonical SMILES for bis(hydroxy-tris(2-methylpropyl)silane);bis(2-methylpropan-2-ol);titanium is CC(C)(C)O.CC(C)(C)O.CC(C)C[Si](O)(CC(C)C)CC(C)C.CC(C)C[Si](O)(CC(C)C)CC(C)C.[Ti].
What is the InChIKey of bis(hydroxy-tris(2-methylpropyl)silane);bis(2-methylpropan-2-ol);titanium?
The InChIKey is IVTXDCHFFIYGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H28OSi.2C4H10O.Ti/c2*1-10(2)7-14(13,8-11(3)4)9-12(5)6;2*1-4(2,3)5;/h2*10-13H,7-9H2,1-6H3;2*5H,1-3H3;.
What are the key properties of bis(hydroxy-tris(2-methylpropyl)silane);bis(2-methylpropan-2-ol);titanium?
bis(hydroxy-tris(2-methylpropyl)silane);bis(2-methylpropan-2-ol);titanium has a molecular weight of 629.00 g/mol, XLogP of 9.34, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(hydroxy-tris(2-methylpropyl)silane);bis(2-methylpropan-2-ol);titanium is sourced from PubChem (CID 140942254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).