[2-bromo-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenoxy]-tert-butyl-dimethylsilane

C20H37BrO2Si2 — CID 102589109

IUPAC[2-bromo-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenoxy]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCc1ccc(O[Si](C)(C)C(C)(C)C)c(Br)c1
InChIInChI=1S/C20H37BrO2Si2/c1-19(2,3)24(7,8)22-14-13-16-11-12-18(17(21)15-16)23-25(9,10)20(4,5)6/h11-12,15H,13-14H2,1-10H3
InChIKeyIOZQALGRKURDRY-UHFFFAOYSA-N
MW445.59 g/mol
LogP7.40
Rot. Bonds6

About [2-bromo-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenoxy]-tert-butyl-dimethylsilane

[2-bromo-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenoxy]-tert-butyl-dimethylsilane (PubChem CID 102589109) has the molecular formula C20H37BrO2Si2 and a molecular weight of 445.59 g/mol. Its IUPAC name is [2-bromo-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[2-bromo-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenoxy]-tert-butyl-dimethylsilane
PubChem CID102589109
Molecular FormulaC20H37BrO2Si2
Molecular Weight445.59 g/mol
Exact Mass444.15
IUPAC Name[2-bromo-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenoxy]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCc1ccc(O[Si](C)(C)C(C)(C)C)c(Br)c1
InChIInChI=1S/C20H37BrO2Si2/c1-19(2,3)24(7,8)22-14-13-16-11-12-18(17(21)15-16)23-25(9,10)20(4,5)6/h11-12,15H,13-14H2,1-10H3
InChIKeyIOZQALGRKURDRY-UHFFFAOYSA-N
XLogP7.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.59
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [2-bromo-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenoxy]-tert-butyl-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-bromo-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [2-bromo-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenoxy]-tert-butyl-dimethylsilane (CID 102589109) is [2-bromo-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [2-bromo-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [2-bromo-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenoxy]-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCCc1ccc(O[Si](C)(C)C(C)(C)C)c(Br)c1.
What is the InChIKey of [2-bromo-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenoxy]-tert-butyl-dimethylsilane?
The InChIKey is IOZQALGRKURDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37BrO2Si2/c1-19(2,3)24(7,8)22-14-13-16-11-12-18(17(21)15-16)23-25(9,10)20(4,5)6/h11-12,15H,13-14H2,1-10H3.
What are the key properties of [2-bromo-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenoxy]-tert-butyl-dimethylsilane?
[2-bromo-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenoxy]-tert-butyl-dimethylsilane has a molecular weight of 445.59 g/mol, XLogP of 7.40, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 102589109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).