dichloro-methyl-phenylsilane

C7H8Cl2Si — CID 9006

IUPACdichloro-methyl-phenylsilane
SMILESC[Si](Cl)(Cl)c1ccccc1
InChIInChI=1S/C7H8Cl2Si/c1-10(8,9)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyGNEPOXWQWFSSOU-UHFFFAOYSA-N
MW191.13 g/mol
LogP2.44
Rot. Bonds1

About dichloro-methyl-phenylsilane

dichloro-methyl-phenylsilane (PubChem CID 9006) has the molecular formula C7H8Cl2Si and a molecular weight of 191.13 g/mol. Its IUPAC name is dichloro-methyl-phenylsilane.

Molecular Properties

Compound Namedichloro-methyl-phenylsilane
PubChem CID9006
Molecular FormulaC7H8Cl2Si
Molecular Weight191.13 g/mol
Exact Mass189.98
IUPAC Namedichloro-methyl-phenylsilane
SMILESC[Si](Cl)(Cl)c1ccccc1
InChIInChI=1S/C7H8Cl2Si/c1-10(8,9)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyGNEPOXWQWFSSOU-UHFFFAOYSA-N
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.13
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dichloro-methyl-phenylsilane?
The IUPAC name of dichloro-methyl-phenylsilane (CID 9006) is dichloro-methyl-phenylsilane.
What is the SMILES notation for dichloro-methyl-phenylsilane?
The canonical SMILES for dichloro-methyl-phenylsilane is C[Si](Cl)(Cl)c1ccccc1.
What is the InChIKey of dichloro-methyl-phenylsilane?
The InChIKey is GNEPOXWQWFSSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2Si/c1-10(8,9)7-5-3-2-4-6-7/h2-6H,1H3.
What are the key properties of dichloro-methyl-phenylsilane?
dichloro-methyl-phenylsilane has a molecular weight of 191.13 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-methyl-phenylsilane is sourced from PubChem (CID 9006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).