trimethylalumane;tris(trimethylsilyl) phosphate

C12H36AlO4PSi3 — CID 16689658

IUPACtrimethylalumane;tris(trimethylsilyl) phosphate
SMILESC[Al](C)C.C[Si](C)(C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C9H27O4PSi3.3CH3.Al/c1-15(2,3)11-14(10,12-16(4,5)6)13-17(7,8)9;;;;/h1-9H3;3*1H3;
InChIKeyQVZDHIRSCPISQC-UHFFFAOYSA-N
MW386.63 g/mol
LogP6.02
Rot. Bonds6

About trimethylalumane;tris(trimethylsilyl) phosphate

trimethylalumane;tris(trimethylsilyl) phosphate (PubChem CID 16689658) has the molecular formula C12H36AlO4PSi3 and a molecular weight of 386.63 g/mol. Its IUPAC name is trimethylalumane;tris(trimethylsilyl) phosphate.

Molecular Properties

Compound Nametrimethylalumane;tris(trimethylsilyl) phosphate
PubChem CID16689658
Molecular FormulaC12H36AlO4PSi3
Molecular Weight386.63 g/mol
Exact Mass386.15
IUPAC Nametrimethylalumane;tris(trimethylsilyl) phosphate
SMILESC[Al](C)C.C[Si](C)(C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C9H27O4PSi3.3CH3.Al/c1-15(2,3)11-14(10,12-16(4,5)6)13-17(7,8)9;;;;/h1-9H3;3*1H3;
InChIKeyQVZDHIRSCPISQC-UHFFFAOYSA-N
XLogP6.02
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.63
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze trimethylalumane;tris(trimethylsilyl) phosphate 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 trimethylalumane;tris(trimethylsilyl) phosphate?
The IUPAC name of trimethylalumane;tris(trimethylsilyl) phosphate (CID 16689658) is trimethylalumane;tris(trimethylsilyl) phosphate.
What is the SMILES notation for trimethylalumane;tris(trimethylsilyl) phosphate?
The canonical SMILES for trimethylalumane;tris(trimethylsilyl) phosphate is C[Al](C)C.C[Si](C)(C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethylalumane;tris(trimethylsilyl) phosphate?
The InChIKey is QVZDHIRSCPISQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H27O4PSi3.3CH3.Al/c1-15(2,3)11-14(10,12-16(4,5)6)13-17(7,8)9;;;;/h1-9H3;3*1H3;.
What are the key properties of trimethylalumane;tris(trimethylsilyl) phosphate?
trimethylalumane;tris(trimethylsilyl) phosphate has a molecular weight of 386.63 g/mol, XLogP of 6.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylalumane;tris(trimethylsilyl) phosphate is sourced from PubChem (CID 16689658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).