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

C32H76O4Si2Ti — CID 140942269

IUPACbis(2-methylpropan-2-ol);titanium;bis(tributyl(hydroxy)silane)
SMILESCC(C)(C)O.CC(C)(C)O.CCCC[Si](O)(CCCC)CCCC.CCCC[Si](O)(CCCC)CCCC.[Ti]
InChIInChI=1S/2C12H28OSi.2C4H10O.Ti/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;
InChIKeyOVCNHAFQRXNAPC-UHFFFAOYSA-N
MW629.00 g/mol
LogP10.20
Rot. Bonds18

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

bis(2-methylpropan-2-ol);titanium;bis(tributyl(hydroxy)silane) (PubChem CID 140942269) has the molecular formula C32H76O4Si2Ti and a molecular weight of 629.00 g/mol. Its IUPAC name is bis(2-methylpropan-2-ol);titanium;bis(tributyl(hydroxy)silane).

Molecular Properties

Compound Namebis(2-methylpropan-2-ol);titanium;bis(tributyl(hydroxy)silane)
PubChem CID140942269
Molecular FormulaC32H76O4Si2Ti
Molecular Weight629.00 g/mol
Exact Mass628.48
IUPAC Namebis(2-methylpropan-2-ol);titanium;bis(tributyl(hydroxy)silane)
SMILESCC(C)(C)O.CC(C)(C)O.CCCC[Si](O)(CCCC)CCCC.CCCC[Si](O)(CCCC)CCCC.[Ti]
InChIInChI=1S/2C12H28OSi.2C4H10O.Ti/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;
InChIKeyOVCNHAFQRXNAPC-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 ≤ 500629.00
LogP ≤ 510.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 bis(2-methylpropan-2-ol);titanium;bis(tributyl(hydroxy)silane)?
The IUPAC name of bis(2-methylpropan-2-ol);titanium;bis(tributyl(hydroxy)silane) (CID 140942269) is bis(2-methylpropan-2-ol);titanium;bis(tributyl(hydroxy)silane).
What is the SMILES notation for bis(2-methylpropan-2-ol);titanium;bis(tributyl(hydroxy)silane)?
The canonical SMILES for bis(2-methylpropan-2-ol);titanium;bis(tributyl(hydroxy)silane) is CC(C)(C)O.CC(C)(C)O.CCCC[Si](O)(CCCC)CCCC.CCCC[Si](O)(CCCC)CCCC.[Ti].
What is the InChIKey of bis(2-methylpropan-2-ol);titanium;bis(tributyl(hydroxy)silane)?
The InChIKey is OVCNHAFQRXNAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H28OSi.2C4H10O.Ti/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);titanium;bis(tributyl(hydroxy)silane)?
bis(2-methylpropan-2-ol);titanium;bis(tributyl(hydroxy)silane) has a molecular weight of 629.00 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);titanium;bis(tributyl(hydroxy)silane) is sourced from PubChem (CID 140942269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).