chloro-(3,5-dimethylphenyl)-bis(3-methylphenyl)silane

C22H23ClSi — CID 88962318

IUPACchloro-(3,5-dimethylphenyl)-bis(3-methylphenyl)silane
SMILESCc1cccc([Si](Cl)(c2cccc(C)c2)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C22H23ClSi/c1-16-7-5-9-20(12-16)24(23,21-10-6-8-17(2)13-21)22-14-18(3)11-19(4)15-22/h5-15H,1-4H3
InChIKeyKYQUFTCVWNVXPG-UHFFFAOYSA-N
MW350.97 g/mol
LogP4.13
Rot. Bonds3

About chloro-(3,5-dimethylphenyl)-bis(3-methylphenyl)silane

chloro-(3,5-dimethylphenyl)-bis(3-methylphenyl)silane (PubChem CID 88962318) has the molecular formula C22H23ClSi and a molecular weight of 350.97 g/mol. Its IUPAC name is chloro-(3,5-dimethylphenyl)-bis(3-methylphenyl)silane.

Molecular Properties

Compound Namechloro-(3,5-dimethylphenyl)-bis(3-methylphenyl)silane
PubChem CID88962318
Molecular FormulaC22H23ClSi
Molecular Weight350.97 g/mol
Exact Mass350.13
IUPAC Namechloro-(3,5-dimethylphenyl)-bis(3-methylphenyl)silane
SMILESCc1cccc([Si](Cl)(c2cccc(C)c2)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C22H23ClSi/c1-16-7-5-9-20(12-16)24(23,21-10-6-8-17(2)13-21)22-14-18(3)11-19(4)15-22/h5-15H,1-4H3
InChIKeyKYQUFTCVWNVXPG-UHFFFAOYSA-N
XLogP4.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.97
LogP ≤ 54.13
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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chloro-(3,5-dimethylphenyl)-bis(3-methylphenyl)silane?
The IUPAC name of chloro-(3,5-dimethylphenyl)-bis(3-methylphenyl)silane (CID 88962318) is chloro-(3,5-dimethylphenyl)-bis(3-methylphenyl)silane.
What is the SMILES notation for chloro-(3,5-dimethylphenyl)-bis(3-methylphenyl)silane?
The canonical SMILES for chloro-(3,5-dimethylphenyl)-bis(3-methylphenyl)silane is Cc1cccc([Si](Cl)(c2cccc(C)c2)c2cc(C)cc(C)c2)c1.
What is the InChIKey of chloro-(3,5-dimethylphenyl)-bis(3-methylphenyl)silane?
The InChIKey is KYQUFTCVWNVXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClSi/c1-16-7-5-9-20(12-16)24(23,21-10-6-8-17(2)13-21)22-14-18(3)11-19(4)15-22/h5-15H,1-4H3.
What are the key properties of chloro-(3,5-dimethylphenyl)-bis(3-methylphenyl)silane?
chloro-(3,5-dimethylphenyl)-bis(3-methylphenyl)silane has a molecular weight of 350.97 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(3,5-dimethylphenyl)-bis(3-methylphenyl)silane is sourced from PubChem (CID 88962318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).