chloro-bis(3,5-dimethylphenyl)-methylsilane

C17H21ClSi — CID 66990238

IUPACchloro-bis(3,5-dimethylphenyl)-methylsilane
SMILESCc1cc(C)cc([Si](C)(Cl)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C17H21ClSi/c1-12-6-13(2)9-16(8-12)19(5,18)17-10-14(3)7-15(4)11-17/h6-11H,1-5H3
InChIKeyLFXUAJYONVHBOL-UHFFFAOYSA-N
MW288.89 g/mol
LogP3.85
Rot. Bonds2

About chloro-bis(3,5-dimethylphenyl)-methylsilane

chloro-bis(3,5-dimethylphenyl)-methylsilane (PubChem CID 66990238) has the molecular formula C17H21ClSi and a molecular weight of 288.89 g/mol. Its IUPAC name is chloro-bis(3,5-dimethylphenyl)-methylsilane.

Molecular Properties

Compound Namechloro-bis(3,5-dimethylphenyl)-methylsilane
PubChem CID66990238
Molecular FormulaC17H21ClSi
Molecular Weight288.89 g/mol
Exact Mass288.11
IUPAC Namechloro-bis(3,5-dimethylphenyl)-methylsilane
SMILESCc1cc(C)cc([Si](C)(Cl)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C17H21ClSi/c1-12-6-13(2)9-16(8-12)19(5,18)17-10-14(3)7-15(4)11-17/h6-11H,1-5H3
InChIKeyLFXUAJYONVHBOL-UHFFFAOYSA-N
XLogP3.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.89
LogP ≤ 53.85
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 chloro-bis(3,5-dimethylphenyl)-methylsilane?
The IUPAC name of chloro-bis(3,5-dimethylphenyl)-methylsilane (CID 66990238) is chloro-bis(3,5-dimethylphenyl)-methylsilane.
What is the SMILES notation for chloro-bis(3,5-dimethylphenyl)-methylsilane?
The canonical SMILES for chloro-bis(3,5-dimethylphenyl)-methylsilane is Cc1cc(C)cc([Si](C)(Cl)c2cc(C)cc(C)c2)c1.
What is the InChIKey of chloro-bis(3,5-dimethylphenyl)-methylsilane?
The InChIKey is LFXUAJYONVHBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClSi/c1-12-6-13(2)9-16(8-12)19(5,18)17-10-14(3)7-15(4)11-17/h6-11H,1-5H3.
What are the key properties of chloro-bis(3,5-dimethylphenyl)-methylsilane?
chloro-bis(3,5-dimethylphenyl)-methylsilane has a molecular weight of 288.89 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-bis(3,5-dimethylphenyl)-methylsilane is sourced from PubChem (CID 66990238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).