cerium(4+);tetrakis(tris[(2-methylpropan-2-yl)oxy]-oxidosilane)

C48H108CeO16Si4 — CID 139188133

IUPACcerium(4+);tetrakis(tris[(2-methylpropan-2-yl)oxy]-oxidosilane)
SMILESCC(C)(C)O[Si]([O-])(OC(C)(C)C)OC(C)(C)C.CC(C)(C)O[Si]([O-])(OC(C)(C)C)OC(C)(C)C.CC(C)(C)O[Si]([O-])(OC(C)(C)C)OC(C)(C)C.CC(C)(C)O[Si]([O-])(OC(C)(C)C)OC(C)(C)C.[Ce+4]
InChIInChI=1S/4C12H27O4Si.Ce/c4*1-10(2,3)14-17(13,15-11(4,5)6)16-12(7,8)9;/h4*1-9H3;/q4*-1;+4
InChIKeyBYZQIXQIMGRAIX-UHFFFAOYSA-N
MW1193.84 g/mol
LogP8.91
Rot. Bonds12

About cerium(4+);tetrakis(tris[(2-methylpropan-2-yl)oxy]-oxidosilane)

cerium(4+);tetrakis(tris[(2-methylpropan-2-yl)oxy]-oxidosilane) (PubChem CID 139188133) has the molecular formula C48H108CeO16Si4 and a molecular weight of 1193.84 g/mol. Its IUPAC name is cerium(4+);tetrakis(tris[(2-methylpropan-2-yl)oxy]-oxidosilane).

Molecular Properties

Compound Namecerium(4+);tetrakis(tris[(2-methylpropan-2-yl)oxy]-oxidosilane)
PubChem CID139188133
Molecular FormulaC48H108CeO16Si4
Molecular Weight1193.84 g/mol
Exact Mass1192.58
IUPAC Namecerium(4+);tetrakis(tris[(2-methylpropan-2-yl)oxy]-oxidosilane)
SMILESCC(C)(C)O[Si]([O-])(OC(C)(C)C)OC(C)(C)C.CC(C)(C)O[Si]([O-])(OC(C)(C)C)OC(C)(C)C.CC(C)(C)O[Si]([O-])(OC(C)(C)C)OC(C)(C)C.CC(C)(C)O[Si]([O-])(OC(C)(C)C)OC(C)(C)C.[Ce+4]
InChIInChI=1S/4C12H27O4Si.Ce/c4*1-10(2,3)14-17(13,15-11(4,5)6)16-12(7,8)9;/h4*1-9H3;/q4*-1;+4
InChIKeyBYZQIXQIMGRAIX-UHFFFAOYSA-N
XLogP8.91
TPSA203.00 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001193.84
LogP ≤ 58.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cerium(4+);tetrakis(tris[(2-methylpropan-2-yl)oxy]-oxidosilane)?
The IUPAC name of cerium(4+);tetrakis(tris[(2-methylpropan-2-yl)oxy]-oxidosilane) (CID 139188133) is cerium(4+);tetrakis(tris[(2-methylpropan-2-yl)oxy]-oxidosilane).
What is the SMILES notation for cerium(4+);tetrakis(tris[(2-methylpropan-2-yl)oxy]-oxidosilane)?
The canonical SMILES for cerium(4+);tetrakis(tris[(2-methylpropan-2-yl)oxy]-oxidosilane) is CC(C)(C)O[Si]([O-])(OC(C)(C)C)OC(C)(C)C.CC(C)(C)O[Si]([O-])(OC(C)(C)C)OC(C)(C)C.CC(C)(C)O[Si]([O-])(OC(C)(C)C)OC(C)(C)C.CC(C)(C)O[Si]([O-])(OC(C)(C)C)OC(C)(C)C.[Ce+4].
What is the InChIKey of cerium(4+);tetrakis(tris[(2-methylpropan-2-yl)oxy]-oxidosilane)?
The InChIKey is BYZQIXQIMGRAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/4C12H27O4Si.Ce/c4*1-10(2,3)14-17(13,15-11(4,5)6)16-12(7,8)9;/h4*1-9H3;/q4*-1;+4.
What are the key properties of cerium(4+);tetrakis(tris[(2-methylpropan-2-yl)oxy]-oxidosilane)?
cerium(4+);tetrakis(tris[(2-methylpropan-2-yl)oxy]-oxidosilane) has a molecular weight of 1193.84 g/mol, XLogP of 8.91, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for cerium(4+);tetrakis(tris[(2-methylpropan-2-yl)oxy]-oxidosilane) is sourced from PubChem (CID 139188133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).