(2,6-ditert-butyl-4-methylphenoxy)-trimethylsilane

C18H32OSi — CID 553697

IUPAC(2,6-ditert-butyl-4-methylphenoxy)-trimethylsilane
SMILESCc1cc(C(C)(C)C)c(O[Si](C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C18H32OSi/c1-13-11-14(17(2,3)4)16(19-20(8,9)10)15(12-13)18(5,6)7/h11-12H,1-10H3
InChIKeyFGUPIRMFRPPBOR-UHFFFAOYSA-N
MW292.54 g/mol
LogP5.80
Rot. Bonds2

About (2,6-ditert-butyl-4-methylphenoxy)-trimethylsilane

(2,6-ditert-butyl-4-methylphenoxy)-trimethylsilane (PubChem CID 553697) has the molecular formula C18H32OSi and a molecular weight of 292.54 g/mol. Its IUPAC name is (2,6-ditert-butyl-4-methylphenoxy)-trimethylsilane.

Molecular Properties

Compound Name(2,6-ditert-butyl-4-methylphenoxy)-trimethylsilane
PubChem CID553697
Molecular FormulaC18H32OSi
Molecular Weight292.54 g/mol
Exact Mass292.22
IUPAC Name(2,6-ditert-butyl-4-methylphenoxy)-trimethylsilane
SMILESCc1cc(C(C)(C)C)c(O[Si](C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C18H32OSi/c1-13-11-14(17(2,3)4)16(19-20(8,9)10)15(12-13)18(5,6)7/h11-12H,1-10H3
InChIKeyFGUPIRMFRPPBOR-UHFFFAOYSA-N
XLogP5.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.54
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,6-ditert-butyl-4-methylphenoxy)-trimethylsilane?
The IUPAC name of (2,6-ditert-butyl-4-methylphenoxy)-trimethylsilane (CID 553697) is (2,6-ditert-butyl-4-methylphenoxy)-trimethylsilane.
What is the SMILES notation for (2,6-ditert-butyl-4-methylphenoxy)-trimethylsilane?
The canonical SMILES for (2,6-ditert-butyl-4-methylphenoxy)-trimethylsilane is Cc1cc(C(C)(C)C)c(O[Si](C)(C)C)c(C(C)(C)C)c1.
What is the InChIKey of (2,6-ditert-butyl-4-methylphenoxy)-trimethylsilane?
The InChIKey is FGUPIRMFRPPBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32OSi/c1-13-11-14(17(2,3)4)16(19-20(8,9)10)15(12-13)18(5,6)7/h11-12H,1-10H3.
What are the key properties of (2,6-ditert-butyl-4-methylphenoxy)-trimethylsilane?
(2,6-ditert-butyl-4-methylphenoxy)-trimethylsilane has a molecular weight of 292.54 g/mol, XLogP of 5.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-ditert-butyl-4-methylphenoxy)-trimethylsilane is sourced from PubChem (CID 553697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).