tert-butyl-[[4-[(3-chlorophenyl)methyl]thiophen-2-yl]methoxy]-dimethylsilane

C18H25ClOSSi — CID 131745414

IUPACtert-butyl-[[4-[(3-chlorophenyl)methyl]thiophen-2-yl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1cc(Cc2cccc(Cl)c2)cs1
InChIInChI=1S/C18H25ClOSSi/c1-18(2,3)22(4,5)20-12-17-11-15(13-21-17)9-14-7-6-8-16(19)10-14/h6-8,10-11,13H,9,12H2,1-5H3
InChIKeyAPVLJXYZIZPYTP-UHFFFAOYSA-N
MW353.00 g/mol
LogP6.51
Rot. Bonds5

About tert-butyl-[[4-[(3-chlorophenyl)methyl]thiophen-2-yl]methoxy]-dimethylsilane

tert-butyl-[[4-[(3-chlorophenyl)methyl]thiophen-2-yl]methoxy]-dimethylsilane (PubChem CID 131745414) has the molecular formula C18H25ClOSSi and a molecular weight of 353.00 g/mol. Its IUPAC name is tert-butyl-[[4-[(3-chlorophenyl)methyl]thiophen-2-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[4-[(3-chlorophenyl)methyl]thiophen-2-yl]methoxy]-dimethylsilane
PubChem CID131745414
Molecular FormulaC18H25ClOSSi
Molecular Weight353.00 g/mol
Exact Mass352.11
IUPAC Nametert-butyl-[[4-[(3-chlorophenyl)methyl]thiophen-2-yl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1cc(Cc2cccc(Cl)c2)cs1
InChIInChI=1S/C18H25ClOSSi/c1-18(2,3)22(4,5)20-12-17-11-15(13-21-17)9-14-7-6-8-16(19)10-14/h6-8,10-11,13H,9,12H2,1-5H3
InChIKeyAPVLJXYZIZPYTP-UHFFFAOYSA-N
XLogP6.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.00
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 tert-butyl-[[4-[(3-chlorophenyl)methyl]thiophen-2-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[4-[(3-chlorophenyl)methyl]thiophen-2-yl]methoxy]-dimethylsilane (CID 131745414) is tert-butyl-[[4-[(3-chlorophenyl)methyl]thiophen-2-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[4-[(3-chlorophenyl)methyl]thiophen-2-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[4-[(3-chlorophenyl)methyl]thiophen-2-yl]methoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCc1cc(Cc2cccc(Cl)c2)cs1.
What is the InChIKey of tert-butyl-[[4-[(3-chlorophenyl)methyl]thiophen-2-yl]methoxy]-dimethylsilane?
The InChIKey is APVLJXYZIZPYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClOSSi/c1-18(2,3)22(4,5)20-12-17-11-15(13-21-17)9-14-7-6-8-16(19)10-14/h6-8,10-11,13H,9,12H2,1-5H3.
What are the key properties of tert-butyl-[[4-[(3-chlorophenyl)methyl]thiophen-2-yl]methoxy]-dimethylsilane?
tert-butyl-[[4-[(3-chlorophenyl)methyl]thiophen-2-yl]methoxy]-dimethylsilane has a molecular weight of 353.00 g/mol, XLogP of 6.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[4-[(3-chlorophenyl)methyl]thiophen-2-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 131745414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).