2-(5-bromo-2-iodophenyl)ethoxy-tert-butyl-dimethylsilane

C14H22BrIOSi — CID 164858094

IUPAC2-(5-bromo-2-iodophenyl)ethoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCc1cc(Br)ccc1I
InChIInChI=1S/C14H22BrIOSi/c1-14(2,3)18(4,5)17-9-8-11-10-12(15)6-7-13(11)16/h6-7,10H,8-9H2,1-5H3
InChIKeyMRPKUBUAEQBDRL-UHFFFAOYSA-N
MW441.22 g/mol
LogP5.62
Rot. Bonds4

About 2-(5-bromo-2-iodophenyl)ethoxy-tert-butyl-dimethylsilane

2-(5-bromo-2-iodophenyl)ethoxy-tert-butyl-dimethylsilane (PubChem CID 164858094) has the molecular formula C14H22BrIOSi and a molecular weight of 441.22 g/mol. Its IUPAC name is 2-(5-bromo-2-iodophenyl)ethoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name2-(5-bromo-2-iodophenyl)ethoxy-tert-butyl-dimethylsilane
PubChem CID164858094
Molecular FormulaC14H22BrIOSi
Molecular Weight441.22 g/mol
Exact Mass439.97
IUPAC Name2-(5-bromo-2-iodophenyl)ethoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCc1cc(Br)ccc1I
InChIInChI=1S/C14H22BrIOSi/c1-14(2,3)18(4,5)17-9-8-11-10-12(15)6-7-13(11)16/h6-7,10H,8-9H2,1-5H3
InChIKeyMRPKUBUAEQBDRL-UHFFFAOYSA-N
XLogP5.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.22
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromophenyl)ethoxy-tert-butyl-dimethylsilane
CID 11515183
2-[5-bromo-2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethanol
CID 10641233
2-[4-bromo-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]-1H-pyrazol-5-one
CID 175953054
2-(5-bromo-1H-indol-2-yl)ethoxy-tert-butyl-dimethylsilane
CID 71285327
4-bromo-2-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfanyl]aniline
CID 67239022
4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-chloroaniline
CID 166154406
[2-bromo-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenoxy]-tert-butyl-dimethylsilane
CID 102589109
3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-chloroaniline
CID 68654630
3-(6-bromo-2-methyl-1H-indol-3-yl)propoxy-tert-butyl-dimethylsilane
CID 102042705
tert-butyl-dimethyl-(2-phenylethoxy)silane
CID 11128311
(4-bromophenyl)methoxy-tert-butyl-dimethylsilane
CID 10859583
3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyridine-2,5-diamine
CID 68848859

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-iodophenyl)ethoxy-tert-butyl-dimethylsilane?
The IUPAC name of 2-(5-bromo-2-iodophenyl)ethoxy-tert-butyl-dimethylsilane (CID 164858094) is 2-(5-bromo-2-iodophenyl)ethoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 2-(5-bromo-2-iodophenyl)ethoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 2-(5-bromo-2-iodophenyl)ethoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCCc1cc(Br)ccc1I.
What is the InChIKey of 2-(5-bromo-2-iodophenyl)ethoxy-tert-butyl-dimethylsilane?
The InChIKey is MRPKUBUAEQBDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrIOSi/c1-14(2,3)18(4,5)17-9-8-11-10-12(15)6-7-13(11)16/h6-7,10H,8-9H2,1-5H3.
What are the key properties of 2-(5-bromo-2-iodophenyl)ethoxy-tert-butyl-dimethylsilane?
2-(5-bromo-2-iodophenyl)ethoxy-tert-butyl-dimethylsilane has a molecular weight of 441.22 g/mol, XLogP of 5.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-iodophenyl)ethoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 164858094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).