bis(hydroxy(trimethyl)silane);bis(3-oxohexanoate);zirconium(2+)

C18H38O8Si2Zr — CID 87233667

IUPACbis(hydroxy(trimethyl)silane);bis(3-oxohexanoate);zirconium(2+)
SMILESCCCC(=O)CC(=O)[O-].CCCC(=O)CC(=O)[O-].C[Si](C)(C)O.C[Si](C)(C)O.[Zr+2]
InChIInChI=1S/2C6H10O3.2C3H10OSi.Zr/c2*1-2-3-5(7)4-6(8)9;2*1-5(2,3)4;/h2*2-4H2,1H3,(H,8,9);2*4H,1-3H3;/q;;;;+2/p-2
InChIKeyCSBRWWIXQDPGOI-UHFFFAOYSA-L
MW529.89 g/mol
LogP0.62
Rot. Bonds8

About bis(hydroxy(trimethyl)silane);bis(3-oxohexanoate);zirconium(2+)

bis(hydroxy(trimethyl)silane);bis(3-oxohexanoate);zirconium(2+) (PubChem CID 87233667) has the molecular formula C18H38O8Si2Zr and a molecular weight of 529.89 g/mol. Its IUPAC name is bis(hydroxy(trimethyl)silane);bis(3-oxohexanoate);zirconium(2+).

Molecular Properties

Compound Namebis(hydroxy(trimethyl)silane);bis(3-oxohexanoate);zirconium(2+)
PubChem CID87233667
Molecular FormulaC18H38O8Si2Zr
Molecular Weight529.89 g/mol
Exact Mass528.12
IUPAC Namebis(hydroxy(trimethyl)silane);bis(3-oxohexanoate);zirconium(2+)
SMILESCCCC(=O)CC(=O)[O-].CCCC(=O)CC(=O)[O-].C[Si](C)(C)O.C[Si](C)(C)O.[Zr+2]
InChIInChI=1S/2C6H10O3.2C3H10OSi.Zr/c2*1-2-3-5(7)4-6(8)9;2*1-5(2,3)4;/h2*2-4H2,1H3,(H,8,9);2*4H,1-3H3;/q;;;;+2/p-2
InChIKeyCSBRWWIXQDPGOI-UHFFFAOYSA-L
XLogP0.62
TPSA154.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.89
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze bis(hydroxy(trimethyl)silane);bis(3-oxohexanoate);zirconium(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(hydroxy(trimethyl)silane);bis(3-oxohexanoate);zirconium(2+)?
The IUPAC name of bis(hydroxy(trimethyl)silane);bis(3-oxohexanoate);zirconium(2+) (CID 87233667) is bis(hydroxy(trimethyl)silane);bis(3-oxohexanoate);zirconium(2+).
What is the SMILES notation for bis(hydroxy(trimethyl)silane);bis(3-oxohexanoate);zirconium(2+)?
The canonical SMILES for bis(hydroxy(trimethyl)silane);bis(3-oxohexanoate);zirconium(2+) is CCCC(=O)CC(=O)[O-].CCCC(=O)CC(=O)[O-].C[Si](C)(C)O.C[Si](C)(C)O.[Zr+2].
What is the InChIKey of bis(hydroxy(trimethyl)silane);bis(3-oxohexanoate);zirconium(2+)?
The InChIKey is CSBRWWIXQDPGOI-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H10O3.2C3H10OSi.Zr/c2*1-2-3-5(7)4-6(8)9;2*1-5(2,3)4;/h2*2-4H2,1H3,(H,8,9);2*4H,1-3H3;/q;;;;+2/p-2.
What are the key properties of bis(hydroxy(trimethyl)silane);bis(3-oxohexanoate);zirconium(2+)?
bis(hydroxy(trimethyl)silane);bis(3-oxohexanoate);zirconium(2+) has a molecular weight of 529.89 g/mol, XLogP of 0.62, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(hydroxy(trimethyl)silane);bis(3-oxohexanoate);zirconium(2+) is sourced from PubChem (CID 87233667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).