[(4-bromothiophen-2-yl)-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methoxy]-trimethylsilane

C20H31BrO2SSi2 — CID 10624245

IUPAC[(4-bromothiophen-2-yl)-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methoxy]-trimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(C(O[Si](C)(C)C)c2cc(Br)cs2)cc1
InChIInChI=1S/C20H31BrO2SSi2/c1-20(2,3)26(7,8)22-17-11-9-15(10-12-17)19(23-25(4,5)6)18-13-16(21)14-24-18/h9-14,19H,1-8H3
InChIKeyKDLWKLHDUSNXJQ-UHFFFAOYSA-N
MW471.61 g/mol
LogP7.84
Rot. Bonds6

About [(4-bromothiophen-2-yl)-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methoxy]-trimethylsilane

[(4-bromothiophen-2-yl)-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methoxy]-trimethylsilane (PubChem CID 10624245) has the molecular formula C20H31BrO2SSi2 and a molecular weight of 471.61 g/mol. Its IUPAC name is [(4-bromothiophen-2-yl)-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methoxy]-trimethylsilane.

Molecular Properties

Compound Name[(4-bromothiophen-2-yl)-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methoxy]-trimethylsilane
PubChem CID10624245
Molecular FormulaC20H31BrO2SSi2
Molecular Weight471.61 g/mol
Exact Mass470.08
IUPAC Name[(4-bromothiophen-2-yl)-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methoxy]-trimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(C(O[Si](C)(C)C)c2cc(Br)cs2)cc1
InChIInChI=1S/C20H31BrO2SSi2/c1-20(2,3)26(7,8)22-17-11-9-15(10-12-17)19(23-25(4,5)6)18-13-16(21)14-24-18/h9-14,19H,1-8H3
InChIKeyKDLWKLHDUSNXJQ-UHFFFAOYSA-N
XLogP7.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.61
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [(4-bromothiophen-2-yl)-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methoxy]-trimethylsilane?
The IUPAC name of [(4-bromothiophen-2-yl)-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methoxy]-trimethylsilane (CID 10624245) is [(4-bromothiophen-2-yl)-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methoxy]-trimethylsilane.
What is the SMILES notation for [(4-bromothiophen-2-yl)-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methoxy]-trimethylsilane?
The canonical SMILES for [(4-bromothiophen-2-yl)-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methoxy]-trimethylsilane is CC(C)(C)[Si](C)(C)Oc1ccc(C(O[Si](C)(C)C)c2cc(Br)cs2)cc1.
What is the InChIKey of [(4-bromothiophen-2-yl)-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methoxy]-trimethylsilane?
The InChIKey is KDLWKLHDUSNXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31BrO2SSi2/c1-20(2,3)26(7,8)22-17-11-9-15(10-12-17)19(23-25(4,5)6)18-13-16(21)14-24-18/h9-14,19H,1-8H3.
What are the key properties of [(4-bromothiophen-2-yl)-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methoxy]-trimethylsilane?
[(4-bromothiophen-2-yl)-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methoxy]-trimethylsilane has a molecular weight of 471.61 g/mol, XLogP of 7.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromothiophen-2-yl)-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methoxy]-trimethylsilane is sourced from PubChem (CID 10624245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).