bis(molybdenum(3+));hexakis(tris[(2-methylpropan-2-yl)oxy]-oxidosilane)

C72H162Mo2O24Si6 — CID 139053072

IUPACbis(molybdenum(3+));hexakis(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.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.[Mo+3].[Mo+3]
InChIInChI=1S/6C12H27O4Si.2Mo/c6*1-10(2,3)14-17(13,15-11(4,5)6)16-12(7,8)9;;/h6*1-9H3;;/q6*-1;2*+3
InChIKeyJALVSCZYBNNWQU-UHFFFAOYSA-N
MW1772.46 g/mol
LogP13.36
Rot. Bonds18

About bis(molybdenum(3+));hexakis(tris[(2-methylpropan-2-yl)oxy]-oxidosilane)

bis(molybdenum(3+));hexakis(tris[(2-methylpropan-2-yl)oxy]-oxidosilane) (PubChem CID 139053072) has the molecular formula C72H162Mo2O24Si6 and a molecular weight of 1772.46 g/mol. Its IUPAC name is bis(molybdenum(3+));hexakis(tris[(2-methylpropan-2-yl)oxy]-oxidosilane).

Molecular Properties

Compound Namebis(molybdenum(3+));hexakis(tris[(2-methylpropan-2-yl)oxy]-oxidosilane)
PubChem CID139053072
Molecular FormulaC72H162Mo2O24Si6
Molecular Weight1772.46 g/mol
Exact Mass1774.82
IUPAC Namebis(molybdenum(3+));hexakis(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.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.[Mo+3].[Mo+3]
InChIInChI=1S/6C12H27O4Si.2Mo/c6*1-10(2,3)14-17(13,15-11(4,5)6)16-12(7,8)9;;/h6*1-9H3;;/q6*-1;2*+3
InChIKeyJALVSCZYBNNWQU-UHFFFAOYSA-N
XLogP13.36
TPSA304.50 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds18
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001772.46
LogP ≤ 513.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

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 bis(molybdenum(3+));hexakis(tris[(2-methylpropan-2-yl)oxy]-oxidosilane)?
The IUPAC name of bis(molybdenum(3+));hexakis(tris[(2-methylpropan-2-yl)oxy]-oxidosilane) (CID 139053072) is bis(molybdenum(3+));hexakis(tris[(2-methylpropan-2-yl)oxy]-oxidosilane).
What is the SMILES notation for bis(molybdenum(3+));hexakis(tris[(2-methylpropan-2-yl)oxy]-oxidosilane)?
The canonical SMILES for bis(molybdenum(3+));hexakis(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.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.[Mo+3].[Mo+3].
What is the InChIKey of bis(molybdenum(3+));hexakis(tris[(2-methylpropan-2-yl)oxy]-oxidosilane)?
The InChIKey is JALVSCZYBNNWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/6C12H27O4Si.2Mo/c6*1-10(2,3)14-17(13,15-11(4,5)6)16-12(7,8)9;;/h6*1-9H3;;/q6*-1;2*+3.
What are the key properties of bis(molybdenum(3+));hexakis(tris[(2-methylpropan-2-yl)oxy]-oxidosilane)?
bis(molybdenum(3+));hexakis(tris[(2-methylpropan-2-yl)oxy]-oxidosilane) has a molecular weight of 1772.46 g/mol, XLogP of 13.36, 18 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for bis(molybdenum(3+));hexakis(tris[(2-methylpropan-2-yl)oxy]-oxidosilane) is sourced from PubChem (CID 139053072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).