bis(tri(butan-2-yloxy)-hydroxysilane);zirconium

C24H56O8Si2Zr — CID 175131164

IUPACbis(tri(butan-2-yloxy)-hydroxysilane);zirconium
SMILESCCC(C)O[Si](O)(OC(C)CC)OC(C)CC.CCC(C)O[Si](O)(OC(C)CC)OC(C)CC.[Zr]
InChIInChI=1S/2C12H28O4Si.Zr/c2*1-7-10(4)14-17(13,15-11(5)8-2)16-12(6)9-3;/h2*10-13H,7-9H2,1-6H3;
InChIKeyDYQZNFUXBVSTGV-UHFFFAOYSA-N
MW620.10 g/mol
LogP5.72
Rot. Bonds18

About bis(tri(butan-2-yloxy)-hydroxysilane);zirconium

bis(tri(butan-2-yloxy)-hydroxysilane);zirconium (PubChem CID 175131164) has the molecular formula C24H56O8Si2Zr and a molecular weight of 620.10 g/mol. Its IUPAC name is bis(tri(butan-2-yloxy)-hydroxysilane);zirconium.

Molecular Properties

Compound Namebis(tri(butan-2-yloxy)-hydroxysilane);zirconium
PubChem CID175131164
Molecular FormulaC24H56O8Si2Zr
Molecular Weight620.10 g/mol
Exact Mass618.26
IUPAC Namebis(tri(butan-2-yloxy)-hydroxysilane);zirconium
SMILESCCC(C)O[Si](O)(OC(C)CC)OC(C)CC.CCC(C)O[Si](O)(OC(C)CC)OC(C)CC.[Zr]
InChIInChI=1S/2C12H28O4Si.Zr/c2*1-7-10(4)14-17(13,15-11(5)8-2)16-12(6)9-3;/h2*10-13H,7-9H2,1-6H3;
InChIKeyDYQZNFUXBVSTGV-UHFFFAOYSA-N
XLogP5.72
TPSA95.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.10
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

bis(butan-1-ol);bis(tri(butan-2-yloxy)-hydroxysilane);zirconium
CID 140942671
butan-2-yloxy-ethyl-dimethylsilane
CID 554677
butan-2-yloxy(trifluoro)silane
CID 139698308
butan-2-yloxy-diethyl-methylsilane
CID 59538140
butan-2-yloxy-dimethyl-propylsilane
CID 87645546
[bis[[butan-2-yloxy(dimethyl)silyl]oxy]-methylsilyl]oxy-bis[[butan-2-yloxy(dimethyl)silyl]oxy]-methylsilane
CID 22340667
silane;tributan-2-yl [chloro-tri(butan-2-yloxy)silyloxymethyl] silicate
CID 173439858
butan-2-yloxy-tert-butyl-dimethylsilane;methane
CID 158755840
butan-2-yloxy-ethenyl-dimethylsilane
CID 559225
2-butan-2-yloxybutane;ethanol
CID 88614162
di(butan-2-yloxy)-chloro-trimethylsilyloxysilane
CID 13033730
butan-2-yloxy-dimethylsilyloxy-dimethylsilane
CID 172687713

Frequently Asked Questions

What is the IUPAC name of bis(tri(butan-2-yloxy)-hydroxysilane);zirconium?
The IUPAC name of bis(tri(butan-2-yloxy)-hydroxysilane);zirconium (CID 175131164) is bis(tri(butan-2-yloxy)-hydroxysilane);zirconium.
What is the SMILES notation for bis(tri(butan-2-yloxy)-hydroxysilane);zirconium?
The canonical SMILES for bis(tri(butan-2-yloxy)-hydroxysilane);zirconium is CCC(C)O[Si](O)(OC(C)CC)OC(C)CC.CCC(C)O[Si](O)(OC(C)CC)OC(C)CC.[Zr].
What is the InChIKey of bis(tri(butan-2-yloxy)-hydroxysilane);zirconium?
The InChIKey is DYQZNFUXBVSTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H28O4Si.Zr/c2*1-7-10(4)14-17(13,15-11(5)8-2)16-12(6)9-3;/h2*10-13H,7-9H2,1-6H3;.
What are the key properties of bis(tri(butan-2-yloxy)-hydroxysilane);zirconium?
bis(tri(butan-2-yloxy)-hydroxysilane);zirconium has a molecular weight of 620.10 g/mol, XLogP of 5.72, 18 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(tri(butan-2-yloxy)-hydroxysilane);zirconium is sourced from PubChem (CID 175131164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).