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

C17H29BrO2Si — CID 59315520

IUPAC[(2R)-2-(4-bromo-2-methylphenyl)-2-ethoxyethoxy]-tert-butyl-dimethylsilane
SMILESCCO[C@@H](CO[Si](C)(C)C(C)(C)C)c1ccc(Br)cc1C
InChIInChI=1S/C17H29BrO2Si/c1-8-19-16(12-20-21(6,7)17(3,4)5)15-10-9-14(18)11-13(15)2/h9-11,16H,8,12H2,1-7H3/t16-/m0/s1
InChIKeyQSIQWHNDZZWIKQ-INIZCTEOSA-N
MW373.41 g/mol
LogP5.86
Rot. Bonds6

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

[(2R)-2-(4-bromo-2-methylphenyl)-2-ethoxyethoxy]-tert-butyl-dimethylsilane (PubChem CID 59315520) has the molecular formula C17H29BrO2Si and a molecular weight of 373.41 g/mol. Its IUPAC name is [(2R)-2-(4-bromo-2-methylphenyl)-2-ethoxyethoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R)-2-(4-bromo-2-methylphenyl)-2-ethoxyethoxy]-tert-butyl-dimethylsilane
PubChem CID59315520
Molecular FormulaC17H29BrO2Si
Molecular Weight373.41 g/mol
Exact Mass372.11
IUPAC Name[(2R)-2-(4-bromo-2-methylphenyl)-2-ethoxyethoxy]-tert-butyl-dimethylsilane
SMILESCCO[C@@H](CO[Si](C)(C)C(C)(C)C)c1ccc(Br)cc1C
InChIInChI=1S/C17H29BrO2Si/c1-8-19-16(12-20-21(6,7)17(3,4)5)15-10-9-14(18)11-13(15)2/h9-11,16H,8,12H2,1-7H3/t16-/m0/s1
InChIKeyQSIQWHNDZZWIKQ-INIZCTEOSA-N
XLogP5.86
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 ≤ 55.86
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

[1-(4-bromo-2-methylphenyl)-2-ethoxyethyl]hydrazine
CID 105321151
tert-butyl-[2-(4-chloro-2-fluorophenyl)-2-(2,6-dibromophenoxy)ethoxy]-dimethylsilane
CID 167433936
(4-bromophenyl)methoxy-tert-butyl-dimethylsilane
CID 10859583
1-(4-bromo-2-methylphenyl)-2-methylbutan-1-amine
CID 105017362
2-(2-bromophenyl)propoxy-tert-butyl-dimethylsilane
CID 174100478
ethyl 3-amino-3-(4-bromo-2-methylphenyl)propanoate
CID 4311402
[1-(4-bromo-2-methylphenyl)-2-methylbutyl]hydrazine
CID 105325669
[1-(4-bromo-2-methylphenyl)-2-propoxyethyl]hydrazine
CID 105321353
(2S)-2-(5-bromo-2-fluorophenoxy)-3-[tert-butyl(dimethyl)silyl]oxypropanoic acid
CID 172790117
4-bromo-2-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfanyl]aniline
CID 67239022
2-(5-bromo-2-iodophenyl)ethoxy-tert-butyl-dimethylsilane
CID 164858094
4-bromo-N-(3,3-diethoxypropyl)-2-methylaniline
CID 81093406

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(4-bromo-2-methylphenyl)-2-ethoxyethoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(2R)-2-(4-bromo-2-methylphenyl)-2-ethoxyethoxy]-tert-butyl-dimethylsilane (CID 59315520) is [(2R)-2-(4-bromo-2-methylphenyl)-2-ethoxyethoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R)-2-(4-bromo-2-methylphenyl)-2-ethoxyethoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R)-2-(4-bromo-2-methylphenyl)-2-ethoxyethoxy]-tert-butyl-dimethylsilane is CCO[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-ethoxyethoxy]-tert-butyl-dimethylsilane?
The InChIKey is QSIQWHNDZZWIKQ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H29BrO2Si/c1-8-19-16(12-20-21(6,7)17(3,4)5)15-10-9-14(18)11-13(15)2/h9-11,16H,8,12H2,1-7H3/t16-/m0/s1.
What are the key properties of [(2R)-2-(4-bromo-2-methylphenyl)-2-ethoxyethoxy]-tert-butyl-dimethylsilane?
[(2R)-2-(4-bromo-2-methylphenyl)-2-ethoxyethoxy]-tert-butyl-dimethylsilane has a molecular weight of 373.41 g/mol, XLogP of 5.86, 6 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-ethoxyethoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 59315520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).