[3-(2-bromo-5-methoxyphenyl)-2-methylpropoxy]-tert-butyl-dimethylsilane

C17H29BrO2Si — CID 22111648

IUPAC[3-(2-bromo-5-methoxyphenyl)-2-methylpropoxy]-tert-butyl-dimethylsilane
SMILESCOc1ccc(Br)c(CC(C)CO[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C17H29BrO2Si/c1-13(12-20-21(6,7)17(2,3)4)10-14-11-15(19-5)8-9-16(14)18/h8-9,11,13H,10,12H2,1-7H3
InChIKeyLFWYKZUKDCAIGQ-UHFFFAOYSA-N
MW373.41 g/mol
LogP5.66
Rot. Bonds6

About [3-(2-bromo-5-methoxyphenyl)-2-methylpropoxy]-tert-butyl-dimethylsilane

[3-(2-bromo-5-methoxyphenyl)-2-methylpropoxy]-tert-butyl-dimethylsilane (PubChem CID 22111648) has the molecular formula C17H29BrO2Si and a molecular weight of 373.41 g/mol. Its IUPAC name is [3-(2-bromo-5-methoxyphenyl)-2-methylpropoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[3-(2-bromo-5-methoxyphenyl)-2-methylpropoxy]-tert-butyl-dimethylsilane
PubChem CID22111648
Molecular FormulaC17H29BrO2Si
Molecular Weight373.41 g/mol
Exact Mass372.11
IUPAC Name[3-(2-bromo-5-methoxyphenyl)-2-methylpropoxy]-tert-butyl-dimethylsilane
SMILESCOc1ccc(Br)c(CC(C)CO[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C17H29BrO2Si/c1-13(12-20-21(6,7)17(2,3)4)10-14-11-15(19-5)8-9-16(14)18/h8-9,11,13H,10,12H2,1-7H3
InChIKeyLFWYKZUKDCAIGQ-UHFFFAOYSA-N
XLogP5.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.41
LogP ≤ 55.66
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 [3-(2-bromo-5-methoxyphenyl)-2-methylpropoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [3-(2-bromo-5-methoxyphenyl)-2-methylpropoxy]-tert-butyl-dimethylsilane (CID 22111648) is [3-(2-bromo-5-methoxyphenyl)-2-methylpropoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [3-(2-bromo-5-methoxyphenyl)-2-methylpropoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [3-(2-bromo-5-methoxyphenyl)-2-methylpropoxy]-tert-butyl-dimethylsilane is COc1ccc(Br)c(CC(C)CO[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of [3-(2-bromo-5-methoxyphenyl)-2-methylpropoxy]-tert-butyl-dimethylsilane?
The InChIKey is LFWYKZUKDCAIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29BrO2Si/c1-13(12-20-21(6,7)17(2,3)4)10-14-11-15(19-5)8-9-16(14)18/h8-9,11,13H,10,12H2,1-7H3.
What are the key properties of [3-(2-bromo-5-methoxyphenyl)-2-methylpropoxy]-tert-butyl-dimethylsilane?
[3-(2-bromo-5-methoxyphenyl)-2-methylpropoxy]-tert-butyl-dimethylsilane has a molecular weight of 373.41 g/mol, XLogP of 5.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-bromo-5-methoxyphenyl)-2-methylpropoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 22111648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).