tris(butan-1-ol);hydroxy-tri(propan-2-yl)silane;zirconium

C21H52O4SiZr — CID 140942511

IUPACtris(butan-1-ol);hydroxy-tri(propan-2-yl)silane;zirconium
SMILESCC(C)[Si](O)(C(C)C)C(C)C.CCCCO.CCCCO.CCCCO.[Zr]
InChIInChI=1S/C9H22OSi.3C4H10O.Zr/c1-7(2)11(10,8(3)4)9(5)6;3*1-2-3-4-5;/h7-10H,1-6H3;3*5H,2-4H2,1H3;
InChIKeyNFHUKZQWCJMBSV-UHFFFAOYSA-N
MW487.95 g/mol
LogP5.49
Rot. Bonds9

About tris(butan-1-ol);hydroxy-tri(propan-2-yl)silane;zirconium

tris(butan-1-ol);hydroxy-tri(propan-2-yl)silane;zirconium (PubChem CID 140942511) has the molecular formula C21H52O4SiZr and a molecular weight of 487.95 g/mol. Its IUPAC name is tris(butan-1-ol);hydroxy-tri(propan-2-yl)silane;zirconium.

Molecular Properties

Compound Nametris(butan-1-ol);hydroxy-tri(propan-2-yl)silane;zirconium
PubChem CID140942511
Molecular FormulaC21H52O4SiZr
Molecular Weight487.95 g/mol
Exact Mass486.27
IUPAC Nametris(butan-1-ol);hydroxy-tri(propan-2-yl)silane;zirconium
SMILESCC(C)[Si](O)(C(C)C)C(C)C.CCCCO.CCCCO.CCCCO.[Zr]
InChIInChI=1S/C9H22OSi.3C4H10O.Zr/c1-7(2)11(10,8(3)4)9(5)6;3*1-2-3-4-5;/h7-10H,1-6H3;3*5H,2-4H2,1H3;
InChIKeyNFHUKZQWCJMBSV-UHFFFAOYSA-N
XLogP5.49
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.95
LogP ≤ 55.49
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

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butan-1-ol
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CID 23284119
butan-1-ol;hafnium;tris(hydroxy(trimethyl)silane)
CID 139997723
butan-1-ol;ethanol;titanium;zirconium
CID 173180305
bis(butan-1-ol);bis(tri(butan-2-yloxy)-hydroxysilane);zirconium
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Frequently Asked Questions

What is the IUPAC name of tris(butan-1-ol);hydroxy-tri(propan-2-yl)silane;zirconium?
The IUPAC name of tris(butan-1-ol);hydroxy-tri(propan-2-yl)silane;zirconium (CID 140942511) is tris(butan-1-ol);hydroxy-tri(propan-2-yl)silane;zirconium.
What is the SMILES notation for tris(butan-1-ol);hydroxy-tri(propan-2-yl)silane;zirconium?
The canonical SMILES for tris(butan-1-ol);hydroxy-tri(propan-2-yl)silane;zirconium is CC(C)[Si](O)(C(C)C)C(C)C.CCCCO.CCCCO.CCCCO.[Zr].
What is the InChIKey of tris(butan-1-ol);hydroxy-tri(propan-2-yl)silane;zirconium?
The InChIKey is NFHUKZQWCJMBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22OSi.3C4H10O.Zr/c1-7(2)11(10,8(3)4)9(5)6;3*1-2-3-4-5;/h7-10H,1-6H3;3*5H,2-4H2,1H3;.
What are the key properties of tris(butan-1-ol);hydroxy-tri(propan-2-yl)silane;zirconium?
tris(butan-1-ol);hydroxy-tri(propan-2-yl)silane;zirconium has a molecular weight of 487.95 g/mol, XLogP of 5.49, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tris(butan-1-ol);hydroxy-tri(propan-2-yl)silane;zirconium is sourced from PubChem (CID 140942511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).