dichloro-[2-(4-methylphenyl)ethyl]-(2-phenylethyl)silane

C17H20Cl2Si — CID 23460090

IUPACdichloro-[2-(4-methylphenyl)ethyl]-(2-phenylethyl)silane
SMILESCc1ccc(CC[Si](Cl)(Cl)CCc2ccccc2)cc1
InChIInChI=1S/C17H20Cl2Si/c1-15-7-9-17(10-8-15)12-14-20(18,19)13-11-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3
InChIKeyDJYZYPZXFOIUPA-UHFFFAOYSA-N
MW323.34 g/mol
LogP5.70
Rot. Bonds6

About dichloro-[2-(4-methylphenyl)ethyl]-(2-phenylethyl)silane

dichloro-[2-(4-methylphenyl)ethyl]-(2-phenylethyl)silane (PubChem CID 23460090) has the molecular formula C17H20Cl2Si and a molecular weight of 323.34 g/mol. Its IUPAC name is dichloro-[2-(4-methylphenyl)ethyl]-(2-phenylethyl)silane.

Molecular Properties

Compound Namedichloro-[2-(4-methylphenyl)ethyl]-(2-phenylethyl)silane
PubChem CID23460090
Molecular FormulaC17H20Cl2Si
Molecular Weight323.34 g/mol
Exact Mass322.07
IUPAC Namedichloro-[2-(4-methylphenyl)ethyl]-(2-phenylethyl)silane
SMILESCc1ccc(CC[Si](Cl)(Cl)CCc2ccccc2)cc1
InChIInChI=1S/C17H20Cl2Si/c1-15-7-9-17(10-8-15)12-14-20(18,19)13-11-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3
InChIKeyDJYZYPZXFOIUPA-UHFFFAOYSA-N
XLogP5.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.34
LogP ≤ 55.70
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 dichloro-[2-(4-methylphenyl)ethyl]-(2-phenylethyl)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 dichloro-[2-(4-methylphenyl)ethyl]-(2-phenylethyl)silane?
The IUPAC name of dichloro-[2-(4-methylphenyl)ethyl]-(2-phenylethyl)silane (CID 23460090) is dichloro-[2-(4-methylphenyl)ethyl]-(2-phenylethyl)silane.
What is the SMILES notation for dichloro-[2-(4-methylphenyl)ethyl]-(2-phenylethyl)silane?
The canonical SMILES for dichloro-[2-(4-methylphenyl)ethyl]-(2-phenylethyl)silane is Cc1ccc(CC[Si](Cl)(Cl)CCc2ccccc2)cc1.
What is the InChIKey of dichloro-[2-(4-methylphenyl)ethyl]-(2-phenylethyl)silane?
The InChIKey is DJYZYPZXFOIUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2Si/c1-15-7-9-17(10-8-15)12-14-20(18,19)13-11-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3.
What are the key properties of dichloro-[2-(4-methylphenyl)ethyl]-(2-phenylethyl)silane?
dichloro-[2-(4-methylphenyl)ethyl]-(2-phenylethyl)silane has a molecular weight of 323.34 g/mol, XLogP of 5.70, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-[2-(4-methylphenyl)ethyl]-(2-phenylethyl)silane is sourced from PubChem (CID 23460090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).