trichloro-(3,5-dimethylphenyl)silane

C8H9Cl3Si — CID 68659977

IUPACtrichloro-(3,5-dimethylphenyl)silane
SMILESCc1cc(C)cc([Si](Cl)(Cl)Cl)c1
InChIInChI=1S/C8H9Cl3Si/c1-6-3-7(2)5-8(4-6)12(9,10)11/h3-5H,1-2H3
InChIKeyUTIDLSWCOUFQST-UHFFFAOYSA-N
MW239.60 g/mol
LogP3.17
Rot. Bonds1

About trichloro-(3,5-dimethylphenyl)silane

trichloro-(3,5-dimethylphenyl)silane (PubChem CID 68659977) has the molecular formula C8H9Cl3Si and a molecular weight of 239.60 g/mol. Its IUPAC name is trichloro-(3,5-dimethylphenyl)silane.

Molecular Properties

Compound Nametrichloro-(3,5-dimethylphenyl)silane
PubChem CID68659977
Molecular FormulaC8H9Cl3Si
Molecular Weight239.60 g/mol
Exact Mass237.95
IUPAC Nametrichloro-(3,5-dimethylphenyl)silane
SMILESCc1cc(C)cc([Si](Cl)(Cl)Cl)c1
InChIInChI=1S/C8H9Cl3Si/c1-6-3-7(2)5-8(4-6)12(9,10)11/h3-5H,1-2H3
InChIKeyUTIDLSWCOUFQST-UHFFFAOYSA-N
XLogP3.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.60
LogP ≤ 53.17
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 trichloro-(3,5-dimethylphenyl)silane?
The IUPAC name of trichloro-(3,5-dimethylphenyl)silane (CID 68659977) is trichloro-(3,5-dimethylphenyl)silane.
What is the SMILES notation for trichloro-(3,5-dimethylphenyl)silane?
The canonical SMILES for trichloro-(3,5-dimethylphenyl)silane is Cc1cc(C)cc([Si](Cl)(Cl)Cl)c1.
What is the InChIKey of trichloro-(3,5-dimethylphenyl)silane?
The InChIKey is UTIDLSWCOUFQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl3Si/c1-6-3-7(2)5-8(4-6)12(9,10)11/h3-5H,1-2H3.
What are the key properties of trichloro-(3,5-dimethylphenyl)silane?
trichloro-(3,5-dimethylphenyl)silane has a molecular weight of 239.60 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro-(3,5-dimethylphenyl)silane is sourced from PubChem (CID 68659977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).