tetrakis(butan-1-ol);titanium;zirconium

C16H40O4TiZr — CID 158276208

IUPACtetrakis(butan-1-ol);titanium;zirconium
SMILESCCCCO.CCCCO.CCCCO.CCCCO.[Ti].[Zr]
InChIInChI=1S/4C4H10O.Ti.Zr/c4*1-2-3-4-5;;/h4*5H,2-4H2,1H3;;
InChIKeyBXAYOLFBTBZWGL-UHFFFAOYSA-N
MW435.58 g/mol
LogP3.11
Rot. Bonds8

About tetrakis(butan-1-ol);titanium;zirconium

tetrakis(butan-1-ol);titanium;zirconium (PubChem CID 158276208) has the molecular formula C16H40O4TiZr and a molecular weight of 435.58 g/mol. Its IUPAC name is tetrakis(butan-1-ol);titanium;zirconium.

Molecular Properties

Compound Nametetrakis(butan-1-ol);titanium;zirconium
PubChem CID158276208
Molecular FormulaC16H40O4TiZr
Molecular Weight435.58 g/mol
Exact Mass434.15
IUPAC Nametetrakis(butan-1-ol);titanium;zirconium
SMILESCCCCO.CCCCO.CCCCO.CCCCO.[Ti].[Zr]
InChIInChI=1S/4C4H10O.Ti.Zr/c4*1-2-3-4-5;;/h4*5H,2-4H2,1H3;;
InChIKeyBXAYOLFBTBZWGL-UHFFFAOYSA-N
XLogP3.11
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.58
LogP ≤ 53.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tetrakis(butan-1-ol);titanium;zirconium?
The IUPAC name of tetrakis(butan-1-ol);titanium;zirconium (CID 158276208) is tetrakis(butan-1-ol);titanium;zirconium.
What is the SMILES notation for tetrakis(butan-1-ol);titanium;zirconium?
The canonical SMILES for tetrakis(butan-1-ol);titanium;zirconium is CCCCO.CCCCO.CCCCO.CCCCO.[Ti].[Zr].
What is the InChIKey of tetrakis(butan-1-ol);titanium;zirconium?
The InChIKey is BXAYOLFBTBZWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/4C4H10O.Ti.Zr/c4*1-2-3-4-5;;/h4*5H,2-4H2,1H3;;.
What are the key properties of tetrakis(butan-1-ol);titanium;zirconium?
tetrakis(butan-1-ol);titanium;zirconium has a molecular weight of 435.58 g/mol, XLogP of 3.11, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(butan-1-ol);titanium;zirconium is sourced from PubChem (CID 158276208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).