tris(2-methylpropan-1-ol);titanium;tributyl(hydroxy)silane

C24H58O4SiTi — CID 140942506

IUPACtris(2-methylpropan-1-ol);titanium;tributyl(hydroxy)silane
SMILESCC(C)CO.CC(C)CO.CC(C)CO.CCCC[Si](O)(CCCC)CCCC.[Ti]
InChIInChI=1S/C12H28OSi.3C4H10O.Ti/c1-4-7-10-14(13,11-8-5-2)12-9-6-3;3*1-4(2)3-5;/h13H,4-12H2,1-3H3;3*4-5H,3H2,1-2H3;
InChIKeyLRCYYQAHXLNOJR-UHFFFAOYSA-N
MW486.68 g/mol
LogP6.23
Rot. Bonds12

About tris(2-methylpropan-1-ol);titanium;tributyl(hydroxy)silane

tris(2-methylpropan-1-ol);titanium;tributyl(hydroxy)silane (PubChem CID 140942506) has the molecular formula C24H58O4SiTi and a molecular weight of 486.68 g/mol. Its IUPAC name is tris(2-methylpropan-1-ol);titanium;tributyl(hydroxy)silane.

Molecular Properties

Compound Nametris(2-methylpropan-1-ol);titanium;tributyl(hydroxy)silane
PubChem CID140942506
Molecular FormulaC24H58O4SiTi
Molecular Weight486.68 g/mol
Exact Mass486.36
IUPAC Nametris(2-methylpropan-1-ol);titanium;tributyl(hydroxy)silane
SMILESCC(C)CO.CC(C)CO.CC(C)CO.CCCC[Si](O)(CCCC)CCCC.[Ti]
InChIInChI=1S/C12H28OSi.3C4H10O.Ti/c1-4-7-10-14(13,11-8-5-2)12-9-6-3;3*1-4(2)3-5;/h13H,4-12H2,1-3H3;3*4-5H,3H2,1-2H3;
InChIKeyLRCYYQAHXLNOJR-UHFFFAOYSA-N
XLogP6.23
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.68
LogP ≤ 56.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tris(propan-1-ol);titanium;tributyl(hydroxy)silane
CID 140942716
ethanol;tributyl(hydroxy)silane;zirconium
CID 140942341
hexane;2-methylpropan-1-ol
CID 19979471
tris(2-methylpropan-1-ol);titanium
CID 87503095
2-methylpropan-1-ol;titanium;dihydrochloride
CID 174321240
tris(cyclohexanol);titanium;tributyl(hydroxy)silane
CID 140942421
bis(butan-2-ol);bis(hydroxy(tripropyl)silane);titanium
CID 140942249
bis(2-methylpropan-1-ol);bis(propan-2-ol);titanium
CID 22628754
lanthanum;tris(2-methylpropan-1-ol)
CID 140708551
2-methylpropan-1-ol;zirconium(3+)
CID 150803706
2-methylpropan-1-ol;zinc
CID 151745482
CID 131872176
CID 131872176

Frequently Asked Questions

What is the IUPAC name of tris(2-methylpropan-1-ol);titanium;tributyl(hydroxy)silane?
The IUPAC name of tris(2-methylpropan-1-ol);titanium;tributyl(hydroxy)silane (CID 140942506) is tris(2-methylpropan-1-ol);titanium;tributyl(hydroxy)silane.
What is the SMILES notation for tris(2-methylpropan-1-ol);titanium;tributyl(hydroxy)silane?
The canonical SMILES for tris(2-methylpropan-1-ol);titanium;tributyl(hydroxy)silane is CC(C)CO.CC(C)CO.CC(C)CO.CCCC[Si](O)(CCCC)CCCC.[Ti].
What is the InChIKey of tris(2-methylpropan-1-ol);titanium;tributyl(hydroxy)silane?
The InChIKey is LRCYYQAHXLNOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28OSi.3C4H10O.Ti/c1-4-7-10-14(13,11-8-5-2)12-9-6-3;3*1-4(2)3-5;/h13H,4-12H2,1-3H3;3*4-5H,3H2,1-2H3;.
What are the key properties of tris(2-methylpropan-1-ol);titanium;tributyl(hydroxy)silane?
tris(2-methylpropan-1-ol);titanium;tributyl(hydroxy)silane has a molecular weight of 486.68 g/mol, XLogP of 6.23, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-methylpropan-1-ol);titanium;tributyl(hydroxy)silane is sourced from PubChem (CID 140942506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).