methyl(2-phenylethynyl)silane;zirconium;dihydrochloride

C9H12Cl2SiZr — CID 173310887

IUPACmethyl(2-phenylethynyl)silane;zirconium;dihydrochloride
SMILESC[SiH2]C#Cc1ccccc1.Cl.Cl.[Zr]
InChIInChI=1S/C9H10Si.2ClH.Zr/c1-10-8-7-9-5-3-2-4-6-9;;;/h2-6H,10H2,1H3;2*1H;
InChIKeyZWNHXGCXNXVJPI-UHFFFAOYSA-N
MW310.41 g/mol
LogP2.05
Rot. Bonds

About methyl(2-phenylethynyl)silane;zirconium;dihydrochloride

methyl(2-phenylethynyl)silane;zirconium;dihydrochloride (PubChem CID 173310887) has the molecular formula C9H12Cl2SiZr and a molecular weight of 310.41 g/mol. Its IUPAC name is methyl(2-phenylethynyl)silane;zirconium;dihydrochloride.

Molecular Properties

Compound Namemethyl(2-phenylethynyl)silane;zirconium;dihydrochloride
PubChem CID173310887
Molecular FormulaC9H12Cl2SiZr
Molecular Weight310.41 g/mol
Exact Mass307.91
IUPAC Namemethyl(2-phenylethynyl)silane;zirconium;dihydrochloride
SMILESC[SiH2]C#Cc1ccccc1.Cl.Cl.[Zr]
InChIInChI=1S/C9H10Si.2ClH.Zr/c1-10-8-7-9-5-3-2-4-6-9;;;/h2-6H,10H2,1H3;2*1H;
InChIKeyZWNHXGCXNXVJPI-UHFFFAOYSA-N
XLogP2.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.41
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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oxophosphanium;2-phenylethynylbenzene
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Frequently Asked Questions

What is the IUPAC name of methyl(2-phenylethynyl)silane;zirconium;dihydrochloride?
The IUPAC name of methyl(2-phenylethynyl)silane;zirconium;dihydrochloride (CID 173310887) is methyl(2-phenylethynyl)silane;zirconium;dihydrochloride.
What is the SMILES notation for methyl(2-phenylethynyl)silane;zirconium;dihydrochloride?
The canonical SMILES for methyl(2-phenylethynyl)silane;zirconium;dihydrochloride is C[SiH2]C#Cc1ccccc1.Cl.Cl.[Zr].
What is the InChIKey of methyl(2-phenylethynyl)silane;zirconium;dihydrochloride?
The InChIKey is ZWNHXGCXNXVJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Si.2ClH.Zr/c1-10-8-7-9-5-3-2-4-6-9;;;/h2-6H,10H2,1H3;2*1H;.
What are the key properties of methyl(2-phenylethynyl)silane;zirconium;dihydrochloride?
methyl(2-phenylethynyl)silane;zirconium;dihydrochloride has a molecular weight of 310.41 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(2-phenylethynyl)silane;zirconium;dihydrochloride is sourced from PubChem (CID 173310887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).