[4-[7-bromo-5-[tert-butyl(dimethyl)silyl]oxy-1-benzofuran-2-yl]phenoxy]-tert-butyl-dimethylsilane

C26H37BrO3Si2 — CID 22221616

IUPAC[4-[7-bromo-5-[tert-butyl(dimethyl)silyl]oxy-1-benzofuran-2-yl]phenoxy]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(-c2cc3cc(O[Si](C)(C)C(C)(C)C)cc(Br)c3o2)cc1
InChIInChI=1S/C26H37BrO3Si2/c1-25(2,3)31(7,8)29-20-13-11-18(12-14-20)23-16-19-15-21(17-22(27)24(19)28-23)30-32(9,10)26(4,5)6/h11-17H,1-10H3
InChIKeyPWMAKBFTKBCJSN-UHFFFAOYSA-N
MW533.66 g/mol
LogP9.63
Rot. Bonds5

About [4-[7-bromo-5-[tert-butyl(dimethyl)silyl]oxy-1-benzofuran-2-yl]phenoxy]-tert-butyl-dimethylsilane

[4-[7-bromo-5-[tert-butyl(dimethyl)silyl]oxy-1-benzofuran-2-yl]phenoxy]-tert-butyl-dimethylsilane (PubChem CID 22221616) has the molecular formula C26H37BrO3Si2 and a molecular weight of 533.66 g/mol. Its IUPAC name is [4-[7-bromo-5-[tert-butyl(dimethyl)silyl]oxy-1-benzofuran-2-yl]phenoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[4-[7-bromo-5-[tert-butyl(dimethyl)silyl]oxy-1-benzofuran-2-yl]phenoxy]-tert-butyl-dimethylsilane
PubChem CID22221616
Molecular FormulaC26H37BrO3Si2
Molecular Weight533.66 g/mol
Exact Mass532.15
IUPAC Name[4-[7-bromo-5-[tert-butyl(dimethyl)silyl]oxy-1-benzofuran-2-yl]phenoxy]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(-c2cc3cc(O[Si](C)(C)C(C)(C)C)cc(Br)c3o2)cc1
InChIInChI=1S/C26H37BrO3Si2/c1-25(2,3)31(7,8)29-20-13-11-18(12-14-20)23-16-19-15-21(17-22(27)24(19)28-23)30-32(9,10)26(4,5)6/h11-17H,1-10H3
InChIKeyPWMAKBFTKBCJSN-UHFFFAOYSA-N
XLogP9.63
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.66
LogP ≤ 59.63
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-[7-bromo-5-[tert-butyl(dimethyl)silyl]oxy-1-benzofuran-2-yl]phenoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [4-[7-bromo-5-[tert-butyl(dimethyl)silyl]oxy-1-benzofuran-2-yl]phenoxy]-tert-butyl-dimethylsilane (CID 22221616) is [4-[7-bromo-5-[tert-butyl(dimethyl)silyl]oxy-1-benzofuran-2-yl]phenoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [4-[7-bromo-5-[tert-butyl(dimethyl)silyl]oxy-1-benzofuran-2-yl]phenoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [4-[7-bromo-5-[tert-butyl(dimethyl)silyl]oxy-1-benzofuran-2-yl]phenoxy]-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)Oc1ccc(-c2cc3cc(O[Si](C)(C)C(C)(C)C)cc(Br)c3o2)cc1.
What is the InChIKey of [4-[7-bromo-5-[tert-butyl(dimethyl)silyl]oxy-1-benzofuran-2-yl]phenoxy]-tert-butyl-dimethylsilane?
The InChIKey is PWMAKBFTKBCJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37BrO3Si2/c1-25(2,3)31(7,8)29-20-13-11-18(12-14-20)23-16-19-15-21(17-22(27)24(19)28-23)30-32(9,10)26(4,5)6/h11-17H,1-10H3.
What are the key properties of [4-[7-bromo-5-[tert-butyl(dimethyl)silyl]oxy-1-benzofuran-2-yl]phenoxy]-tert-butyl-dimethylsilane?
[4-[7-bromo-5-[tert-butyl(dimethyl)silyl]oxy-1-benzofuran-2-yl]phenoxy]-tert-butyl-dimethylsilane has a molecular weight of 533.66 g/mol, XLogP of 9.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[7-bromo-5-[tert-butyl(dimethyl)silyl]oxy-1-benzofuran-2-yl]phenoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 22221616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).