chloro-(3,5-dimethylphenyl)-bis(3-methyl-5-trimethylsilylphenyl)silane

C28H39ClSi3 — CID 88962741

IUPACchloro-(3,5-dimethylphenyl)-bis(3-methyl-5-trimethylsilylphenyl)silane
SMILESCc1cc(C)cc([Si](Cl)(c2cc(C)cc([Si](C)(C)C)c2)c2cc(C)cc([Si](C)(C)C)c2)c1
InChIInChI=1S/C28H39ClSi3/c1-20-11-21(2)15-26(14-20)32(29,27-16-22(3)12-24(18-27)30(5,6)7)28-17-23(4)13-25(19-28)31(8,9)10/h11-19H,1-10H3
InChIKeyHJYVIHBJIOBAJS-UHFFFAOYSA-N
MW495.33 g/mol
LogP5.22
Rot. Bonds5

About chloro-(3,5-dimethylphenyl)-bis(3-methyl-5-trimethylsilylphenyl)silane

chloro-(3,5-dimethylphenyl)-bis(3-methyl-5-trimethylsilylphenyl)silane (PubChem CID 88962741) has the molecular formula C28H39ClSi3 and a molecular weight of 495.33 g/mol. Its IUPAC name is chloro-(3,5-dimethylphenyl)-bis(3-methyl-5-trimethylsilylphenyl)silane.

Molecular Properties

Compound Namechloro-(3,5-dimethylphenyl)-bis(3-methyl-5-trimethylsilylphenyl)silane
PubChem CID88962741
Molecular FormulaC28H39ClSi3
Molecular Weight495.33 g/mol
Exact Mass494.20
IUPAC Namechloro-(3,5-dimethylphenyl)-bis(3-methyl-5-trimethylsilylphenyl)silane
SMILESCc1cc(C)cc([Si](Cl)(c2cc(C)cc([Si](C)(C)C)c2)c2cc(C)cc([Si](C)(C)C)c2)c1
InChIInChI=1S/C28H39ClSi3/c1-20-11-21(2)15-26(14-20)32(29,27-16-22(3)12-24(18-27)30(5,6)7)28-17-23(4)13-25(19-28)31(8,9)10/h11-19H,1-10H3
InChIKeyHJYVIHBJIOBAJS-UHFFFAOYSA-N
XLogP5.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.33
LogP ≤ 55.22
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-methyl-5-trimethylsilylphenyl)silane?
The IUPAC name of chloro-(3,5-dimethylphenyl)-bis(3-methyl-5-trimethylsilylphenyl)silane (CID 88962741) is chloro-(3,5-dimethylphenyl)-bis(3-methyl-5-trimethylsilylphenyl)silane.
What is the SMILES notation for chloro-(3,5-dimethylphenyl)-bis(3-methyl-5-trimethylsilylphenyl)silane?
The canonical SMILES for chloro-(3,5-dimethylphenyl)-bis(3-methyl-5-trimethylsilylphenyl)silane is Cc1cc(C)cc([Si](Cl)(c2cc(C)cc([Si](C)(C)C)c2)c2cc(C)cc([Si](C)(C)C)c2)c1.
What is the InChIKey of chloro-(3,5-dimethylphenyl)-bis(3-methyl-5-trimethylsilylphenyl)silane?
The InChIKey is HJYVIHBJIOBAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39ClSi3/c1-20-11-21(2)15-26(14-20)32(29,27-16-22(3)12-24(18-27)30(5,6)7)28-17-23(4)13-25(19-28)31(8,9)10/h11-19H,1-10H3.
What are the key properties of chloro-(3,5-dimethylphenyl)-bis(3-methyl-5-trimethylsilylphenyl)silane?
chloro-(3,5-dimethylphenyl)-bis(3-methyl-5-trimethylsilylphenyl)silane has a molecular weight of 495.33 g/mol, XLogP of 5.22, 5 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-methyl-5-trimethylsilylphenyl)silane is sourced from PubChem (CID 88962741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).