[(2R)-2-(4-bromo-2-methylphenyl)-2-methoxyethoxy]-tert-butyl-dimethylsilane

C16H27BrO2Si — CID 59315406

IUPAC[(2R)-2-(4-bromo-2-methylphenyl)-2-methoxyethoxy]-tert-butyl-dimethylsilane
SMILESCO[C@@H](CO[Si](C)(C)C(C)(C)C)c1ccc(Br)cc1C
InChIInChI=1S/C16H27BrO2Si/c1-12-10-13(17)8-9-14(12)15(18-5)11-19-20(6,7)16(2,3)4/h8-10,15H,11H2,1-7H3/t15-/m0/s1
InChIKeySFAMCXOHIJSIAX-HNNXBMFYSA-N
MW359.38 g/mol
LogP5.47
Rot. Bonds5

About [(2R)-2-(4-bromo-2-methylphenyl)-2-methoxyethoxy]-tert-butyl-dimethylsilane

[(2R)-2-(4-bromo-2-methylphenyl)-2-methoxyethoxy]-tert-butyl-dimethylsilane (PubChem CID 59315406) has the molecular formula C16H27BrO2Si and a molecular weight of 359.38 g/mol. Its IUPAC name is [(2R)-2-(4-bromo-2-methylphenyl)-2-methoxyethoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R)-2-(4-bromo-2-methylphenyl)-2-methoxyethoxy]-tert-butyl-dimethylsilane
PubChem CID59315406
Molecular FormulaC16H27BrO2Si
Molecular Weight359.38 g/mol
Exact Mass358.10
IUPAC Name[(2R)-2-(4-bromo-2-methylphenyl)-2-methoxyethoxy]-tert-butyl-dimethylsilane
SMILESCO[C@@H](CO[Si](C)(C)C(C)(C)C)c1ccc(Br)cc1C
InChIInChI=1S/C16H27BrO2Si/c1-12-10-13(17)8-9-14(12)15(18-5)11-19-20(6,7)16(2,3)4/h8-10,15H,11H2,1-7H3/t15-/m0/s1
InChIKeySFAMCXOHIJSIAX-HNNXBMFYSA-N
XLogP5.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.38
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-Bromo-2-methylphenyl)oxirane
CID 130949620
(4R)-7-bromo-4-methoxy-3,4-dihydro-1H-2-benzopyran
CID 122233581
7-bromo-3-methyl-3,4-dihydro-1H-2-benzopyran
CID 177799177
1,2-Dibromo-4,5-bis(2-ethoxyethoxymethyl)benzene
CID 12606467
[(2R,3R)-2-(4-bromophenyl)-4-methyl-3-propan-2-yl-2,3-dihydrofuran-5-yl]-triethylsilane
CID 101730999
[(2R,3S)-3-(4-bromophenyl)oxiran-2-yl]-trimethylsilane
CID 44190190
[(2R,3S)-3-(3-bromophenyl)oxiran-2-yl]-trimethylsilane
CID 59609126
[2-(3-Bromo-4-fluorophenyl)-2-methoxyethoxy]-tert-butyl-dimethylsilane
CID 20785396
{3-[(4-Bromobenzyl)oxy]-2,2-difluoropropoxy}(t-butyl)dimethylsilane
CID 66717565
[2-[(4-Bromophenyl)methoxymethyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy-triethylsilane
CID 154615128
1-[4-Bromo-2-(trifluoromethyl)phenyl]propan-2-yloxy-tert-butyl-dimethylsilane
CID 162516525
[(2R)-1-[(3-bromo-5-fluorophenyl)methoxy]-3-octadecoxypropan-2-yl]oxy-tert-butyl-dimethylsilane
CID 163259960

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(4-bromo-2-methylphenyl)-2-methoxyethoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(2R)-2-(4-bromo-2-methylphenyl)-2-methoxyethoxy]-tert-butyl-dimethylsilane (CID 59315406) is [(2R)-2-(4-bromo-2-methylphenyl)-2-methoxyethoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R)-2-(4-bromo-2-methylphenyl)-2-methoxyethoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R)-2-(4-bromo-2-methylphenyl)-2-methoxyethoxy]-tert-butyl-dimethylsilane is CO[C@@H](CO[Si](C)(C)C(C)(C)C)c1ccc(Br)cc1C.
What is the InChIKey of [(2R)-2-(4-bromo-2-methylphenyl)-2-methoxyethoxy]-tert-butyl-dimethylsilane?
The InChIKey is SFAMCXOHIJSIAX-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H27BrO2Si/c1-12-10-13(17)8-9-14(12)15(18-5)11-19-20(6,7)16(2,3)4/h8-10,15H,11H2,1-7H3/t15-/m0/s1.
What are the key properties of [(2R)-2-(4-bromo-2-methylphenyl)-2-methoxyethoxy]-tert-butyl-dimethylsilane?
[(2R)-2-(4-bromo-2-methylphenyl)-2-methoxyethoxy]-tert-butyl-dimethylsilane has a molecular weight of 359.38 g/mol, XLogP of 5.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(4-bromo-2-methylphenyl)-2-methoxyethoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 59315406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).