tert-butyl-[3-(4-methoxy-2,6-dimethylphenyl)sulfonylpropoxy]-dimethylsilane

C18H32O4SSi — CID 69222386

IUPACtert-butyl-[3-(4-methoxy-2,6-dimethylphenyl)sulfonylpropoxy]-dimethylsilane
SMILESCOc1cc(C)c(S(=O)(=O)CCCO[Si](C)(C)C(C)(C)C)c(C)c1
InChIInChI=1S/C18H32O4SSi/c1-14-12-16(21-6)13-15(2)17(14)23(19,20)11-9-10-22-24(7,8)18(3,4)5/h12-13H,9-11H2,1-8H3
InChIKeyVXEMKCMWASTLIT-UHFFFAOYSA-N
MW372.60 g/mol
LogP4.50
Rot. Bonds7

About tert-butyl-[3-(4-methoxy-2,6-dimethylphenyl)sulfonylpropoxy]-dimethylsilane

tert-butyl-[3-(4-methoxy-2,6-dimethylphenyl)sulfonylpropoxy]-dimethylsilane (PubChem CID 69222386) has the molecular formula C18H32O4SSi and a molecular weight of 372.60 g/mol. Its IUPAC name is tert-butyl-[3-(4-methoxy-2,6-dimethylphenyl)sulfonylpropoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[3-(4-methoxy-2,6-dimethylphenyl)sulfonylpropoxy]-dimethylsilane
PubChem CID69222386
Molecular FormulaC18H32O4SSi
Molecular Weight372.60 g/mol
Exact Mass372.18
IUPAC Nametert-butyl-[3-(4-methoxy-2,6-dimethylphenyl)sulfonylpropoxy]-dimethylsilane
SMILESCOc1cc(C)c(S(=O)(=O)CCCO[Si](C)(C)C(C)(C)C)c(C)c1
InChIInChI=1S/C18H32O4SSi/c1-14-12-16(21-6)13-15(2)17(14)23(19,20)11-9-10-22-24(7,8)18(3,4)5/h12-13H,9-11H2,1-8H3
InChIKeyVXEMKCMWASTLIT-UHFFFAOYSA-N
XLogP4.50
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.60
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-(4-methoxy-2,6-dimethylphenyl)sulfonylpropoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[3-(4-methoxy-2,6-dimethylphenyl)sulfonylpropoxy]-dimethylsilane (CID 69222386) is tert-butyl-[3-(4-methoxy-2,6-dimethylphenyl)sulfonylpropoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[3-(4-methoxy-2,6-dimethylphenyl)sulfonylpropoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[3-(4-methoxy-2,6-dimethylphenyl)sulfonylpropoxy]-dimethylsilane is COc1cc(C)c(S(=O)(=O)CCCO[Si](C)(C)C(C)(C)C)c(C)c1.
What is the InChIKey of tert-butyl-[3-(4-methoxy-2,6-dimethylphenyl)sulfonylpropoxy]-dimethylsilane?
The InChIKey is VXEMKCMWASTLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O4SSi/c1-14-12-16(21-6)13-15(2)17(14)23(19,20)11-9-10-22-24(7,8)18(3,4)5/h12-13H,9-11H2,1-8H3.
What are the key properties of tert-butyl-[3-(4-methoxy-2,6-dimethylphenyl)sulfonylpropoxy]-dimethylsilane?
tert-butyl-[3-(4-methoxy-2,6-dimethylphenyl)sulfonylpropoxy]-dimethylsilane has a molecular weight of 372.60 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-(4-methoxy-2,6-dimethylphenyl)sulfonylpropoxy]-dimethylsilane is sourced from PubChem (CID 69222386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).