chloro-(2,6-ditert-butyl-4-methylphenoxy)-dimethylsilane

C17H29ClOSi — CID 13254327

IUPACchloro-(2,6-ditert-butyl-4-methylphenoxy)-dimethylsilane
SMILESCc1cc(C(C)(C)C)c(O[Si](C)(C)Cl)c(C(C)(C)C)c1
InChIInChI=1S/C17H29ClOSi/c1-12-10-13(16(2,3)4)15(19-20(8,9)18)14(11-12)17(5,6)7/h10-11H,1-9H3
InChIKeyDDDJKVFRSZFKPM-UHFFFAOYSA-N
MW312.96 g/mol
LogP5.91
Rot. Bonds2

About chloro-(2,6-ditert-butyl-4-methylphenoxy)-dimethylsilane

chloro-(2,6-ditert-butyl-4-methylphenoxy)-dimethylsilane (PubChem CID 13254327) has the molecular formula C17H29ClOSi and a molecular weight of 312.96 g/mol. Its IUPAC name is chloro-(2,6-ditert-butyl-4-methylphenoxy)-dimethylsilane.

Molecular Properties

Compound Namechloro-(2,6-ditert-butyl-4-methylphenoxy)-dimethylsilane
PubChem CID13254327
Molecular FormulaC17H29ClOSi
Molecular Weight312.96 g/mol
Exact Mass312.17
IUPAC Namechloro-(2,6-ditert-butyl-4-methylphenoxy)-dimethylsilane
SMILESCc1cc(C(C)(C)C)c(O[Si](C)(C)Cl)c(C(C)(C)C)c1
InChIInChI=1S/C17H29ClOSi/c1-12-10-13(16(2,3)4)15(19-20(8,9)18)14(11-12)17(5,6)7/h10-11H,1-9H3
InChIKeyDDDJKVFRSZFKPM-UHFFFAOYSA-N
XLogP5.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.96
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(2,6-ditert-butyl-4-methylphenoxy)-dimethylsilane?
The IUPAC name of chloro-(2,6-ditert-butyl-4-methylphenoxy)-dimethylsilane (CID 13254327) is chloro-(2,6-ditert-butyl-4-methylphenoxy)-dimethylsilane.
What is the SMILES notation for chloro-(2,6-ditert-butyl-4-methylphenoxy)-dimethylsilane?
The canonical SMILES for chloro-(2,6-ditert-butyl-4-methylphenoxy)-dimethylsilane is Cc1cc(C(C)(C)C)c(O[Si](C)(C)Cl)c(C(C)(C)C)c1.
What is the InChIKey of chloro-(2,6-ditert-butyl-4-methylphenoxy)-dimethylsilane?
The InChIKey is DDDJKVFRSZFKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29ClOSi/c1-12-10-13(16(2,3)4)15(19-20(8,9)18)14(11-12)17(5,6)7/h10-11H,1-9H3.
What are the key properties of chloro-(2,6-ditert-butyl-4-methylphenoxy)-dimethylsilane?
chloro-(2,6-ditert-butyl-4-methylphenoxy)-dimethylsilane has a molecular weight of 312.96 g/mol, XLogP of 5.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(2,6-ditert-butyl-4-methylphenoxy)-dimethylsilane is sourced from PubChem (CID 13254327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).