chloro-dimethyl-(4-propylphenyl)silane

C11H17ClSi — CID 139705151

IUPACchloro-dimethyl-(4-propylphenyl)silane
SMILESCCCc1ccc([Si](C)(C)Cl)cc1
InChIInChI=1S/C11H17ClSi/c1-4-5-10-6-8-11(9-7-10)13(2,3)12/h6-9H,4-5H2,1-3H3
InChIKeyXKEPUBXPAHWABR-UHFFFAOYSA-N
MW212.80 g/mol
LogP3.29
Rot. Bonds3

About chloro-dimethyl-(4-propylphenyl)silane

chloro-dimethyl-(4-propylphenyl)silane (PubChem CID 139705151) has the molecular formula C11H17ClSi and a molecular weight of 212.80 g/mol. Its IUPAC name is chloro-dimethyl-(4-propylphenyl)silane.

Molecular Properties

Compound Namechloro-dimethyl-(4-propylphenyl)silane
PubChem CID139705151
Molecular FormulaC11H17ClSi
Molecular Weight212.80 g/mol
Exact Mass212.08
IUPAC Namechloro-dimethyl-(4-propylphenyl)silane
SMILESCCCc1ccc([Si](C)(C)Cl)cc1
InChIInChI=1S/C11H17ClSi/c1-4-5-10-6-8-11(9-7-10)13(2,3)12/h6-9H,4-5H2,1-3H3
InChIKeyXKEPUBXPAHWABR-UHFFFAOYSA-N
XLogP3.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.80
LogP ≤ 53.29
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'}

Analyze chloro-dimethyl-(4-propylphenyl)silane 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 chloro-dimethyl-(4-propylphenyl)silane?
The IUPAC name of chloro-dimethyl-(4-propylphenyl)silane (CID 139705151) is chloro-dimethyl-(4-propylphenyl)silane.
What is the SMILES notation for chloro-dimethyl-(4-propylphenyl)silane?
The canonical SMILES for chloro-dimethyl-(4-propylphenyl)silane is CCCc1ccc([Si](C)(C)Cl)cc1.
What is the InChIKey of chloro-dimethyl-(4-propylphenyl)silane?
The InChIKey is XKEPUBXPAHWABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClSi/c1-4-5-10-6-8-11(9-7-10)13(2,3)12/h6-9H,4-5H2,1-3H3.
What are the key properties of chloro-dimethyl-(4-propylphenyl)silane?
chloro-dimethyl-(4-propylphenyl)silane has a molecular weight of 212.80 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-dimethyl-(4-propylphenyl)silane is sourced from PubChem (CID 139705151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).