[1-[3,5-bis(phenylmethoxy)phenyl]-2-bromoethoxy]-tert-butyl-dimethylsilane

C28H35BrO3Si — CID 68838926

IUPAC[1-[3,5-bis(phenylmethoxy)phenyl]-2-bromoethoxy]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC(CBr)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1
InChIInChI=1S/C28H35BrO3Si/c1-28(2,3)33(4,5)32-27(19-29)24-16-25(30-20-22-12-8-6-9-13-22)18-26(17-24)31-21-23-14-10-7-11-15-23/h6-18,27H,19-21H2,1-5H3
InChIKeyQEYIKUUHTMJILQ-UHFFFAOYSA-N
MW527.58 g/mol
LogP8.30
Rot. Bonds10

About [1-[3,5-bis(phenylmethoxy)phenyl]-2-bromoethoxy]-tert-butyl-dimethylsilane

[1-[3,5-bis(phenylmethoxy)phenyl]-2-bromoethoxy]-tert-butyl-dimethylsilane (PubChem CID 68838926) has the molecular formula C28H35BrO3Si and a molecular weight of 527.58 g/mol. Its IUPAC name is [1-[3,5-bis(phenylmethoxy)phenyl]-2-bromoethoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[1-[3,5-bis(phenylmethoxy)phenyl]-2-bromoethoxy]-tert-butyl-dimethylsilane
PubChem CID68838926
Molecular FormulaC28H35BrO3Si
Molecular Weight527.58 g/mol
Exact Mass526.15
IUPAC Name[1-[3,5-bis(phenylmethoxy)phenyl]-2-bromoethoxy]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC(CBr)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1
InChIInChI=1S/C28H35BrO3Si/c1-28(2,3)33(4,5)32-27(19-29)24-16-25(30-20-22-12-8-6-9-13-22)18-26(17-24)31-21-23-14-10-7-11-15-23/h6-18,27H,19-21H2,1-5H3
InChIKeyQEYIKUUHTMJILQ-UHFFFAOYSA-N
XLogP8.30
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.58
LogP ≤ 58.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [1-[3,5-bis(phenylmethoxy)phenyl]-2-bromoethoxy]-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

Related Compounds

tert-butyl-dimethyl-(4-phenylmethoxyphenoxy)silane
CID 532661
1-[3,5-bis(phenylmethoxy)phenyl]-2-bromoethanol
CID 11640220
1-bromo-3-phenylmethoxy-5-propan-2-ylbenzene
CID 162421142
[2-bromo-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethoxy]-tert-butyl-dimethylsilane
CID 169498256
benzyl (3S)-4-bromo-3-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 141383140
tert-butyl-(3,3-dibromo-1-phenylpropoxy)-dimethylsilane
CID 15262613
2-bromo-1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenylmethoxyphenyl]ethanol
CID 76807098
[3-[tert-butyl(dimethyl)silyl]oxy-2-iodo-5-phenylmethoxyphenyl] trifluoromethanesulfonate
CID 11858935
1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenyl-1-(4-phenylmethoxyphenyl)butan-1-ol
CID 54001098
tert-butyl-dimethyl-(1-phenylbut-3-enoxy)silane
CID 11230810
[2-bromo-1-(2,6-dichlorophenyl)ethoxy]-tert-butyl-dimethylsilane
CID 169498298
tert-butyl-dimethyl-[(2R)-1-phenylpropan-2-yl]oxysilane
CID 59920354

Frequently Asked Questions

What is the IUPAC name of [1-[3,5-bis(phenylmethoxy)phenyl]-2-bromoethoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [1-[3,5-bis(phenylmethoxy)phenyl]-2-bromoethoxy]-tert-butyl-dimethylsilane (CID 68838926) is [1-[3,5-bis(phenylmethoxy)phenyl]-2-bromoethoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [1-[3,5-bis(phenylmethoxy)phenyl]-2-bromoethoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [1-[3,5-bis(phenylmethoxy)phenyl]-2-bromoethoxy]-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC(CBr)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1.
What is the InChIKey of [1-[3,5-bis(phenylmethoxy)phenyl]-2-bromoethoxy]-tert-butyl-dimethylsilane?
The InChIKey is QEYIKUUHTMJILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35BrO3Si/c1-28(2,3)33(4,5)32-27(19-29)24-16-25(30-20-22-12-8-6-9-13-22)18-26(17-24)31-21-23-14-10-7-11-15-23/h6-18,27H,19-21H2,1-5H3.
What are the key properties of [1-[3,5-bis(phenylmethoxy)phenyl]-2-bromoethoxy]-tert-butyl-dimethylsilane?
[1-[3,5-bis(phenylmethoxy)phenyl]-2-bromoethoxy]-tert-butyl-dimethylsilane has a molecular weight of 527.58 g/mol, XLogP of 8.30, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3,5-bis(phenylmethoxy)phenyl]-2-bromoethoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 68838926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).