ethanol;tributyl(hydroxy)silane;zirconium

C18H46O4SiZr — CID 140942341

IUPACethanol;tributyl(hydroxy)silane;zirconium
SMILESCCCC[Si](O)(CCCC)CCCC.CCO.CCO.CCO.[Zr]
InChIInChI=1S/C12H28OSi.3C2H6O.Zr/c1-4-7-10-14(13,11-8-5-2)12-9-6-3;3*1-2-3;/h13H,4-12H2,1-3H3;3*3H,2H2,1H3;
InChIKeyJPQOUMBEXHVICL-UHFFFAOYSA-N
MW445.87 g/mol
LogP4.32
Rot. Bonds9

About ethanol;tributyl(hydroxy)silane;zirconium

ethanol;tributyl(hydroxy)silane;zirconium (PubChem CID 140942341) has the molecular formula C18H46O4SiZr and a molecular weight of 445.87 g/mol. Its IUPAC name is ethanol;tributyl(hydroxy)silane;zirconium.

Molecular Properties

Compound Nameethanol;tributyl(hydroxy)silane;zirconium
PubChem CID140942341
Molecular FormulaC18H46O4SiZr
Molecular Weight445.87 g/mol
Exact Mass444.22
IUPAC Nameethanol;tributyl(hydroxy)silane;zirconium
SMILESCCCC[Si](O)(CCCC)CCCC.CCO.CCO.CCO.[Zr]
InChIInChI=1S/C12H28OSi.3C2H6O.Zr/c1-4-7-10-14(13,11-8-5-2)12-9-6-3;3*1-2-3;/h13H,4-12H2,1-3H3;3*3H,2H2,1H3;
InChIKeyJPQOUMBEXHVICL-UHFFFAOYSA-N
XLogP4.32
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.87
LogP ≤ 54.32
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
tris(2-methylpropan-1-ol);titanium;tributyl(hydroxy)silane
CID 140942506
tris(cyclohexanol);titanium;tributyl(hydroxy)silane
CID 140942421
butan-1-ol;ethanol;zirconium
CID 87234004
butane;ethanol;hexane
CID 174644566
ethanol;bis(heptane);bis(hexane)
CID 173110983
ethanol;hexadecane
CID 21185421
butan-1-ol;ethanol;titanium;zirconium
CID 173180305
tris(butan-1-ol);zirconium
CID 25200102
ethanol;heptane;methane
CID 160925089
butyl-dihexyl-octylsilane
CID 168803297
hydroxy(tripropyl)silane;methanol;titanium;dihydrate
CID 140942508

Frequently Asked Questions

What is the IUPAC name of ethanol;tributyl(hydroxy)silane;zirconium?
The IUPAC name of ethanol;tributyl(hydroxy)silane;zirconium (CID 140942341) is ethanol;tributyl(hydroxy)silane;zirconium.
What is the SMILES notation for ethanol;tributyl(hydroxy)silane;zirconium?
The canonical SMILES for ethanol;tributyl(hydroxy)silane;zirconium is CCCC[Si](O)(CCCC)CCCC.CCO.CCO.CCO.[Zr].
What is the InChIKey of ethanol;tributyl(hydroxy)silane;zirconium?
The InChIKey is JPQOUMBEXHVICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28OSi.3C2H6O.Zr/c1-4-7-10-14(13,11-8-5-2)12-9-6-3;3*1-2-3;/h13H,4-12H2,1-3H3;3*3H,2H2,1H3;.
What are the key properties of ethanol;tributyl(hydroxy)silane;zirconium?
ethanol;tributyl(hydroxy)silane;zirconium has a molecular weight of 445.87 g/mol, XLogP of 4.32, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;tributyl(hydroxy)silane;zirconium is sourced from PubChem (CID 140942341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).