2-(4-bromophenoxy)ethoxy-tert-butyl-diphenylsilane

C24H27BrO2Si — CID 91800510

IUPAC2-(4-bromophenoxy)ethoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OCCOc1ccc(Br)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H27BrO2Si/c1-24(2,3)28(22-10-6-4-7-11-22,23-12-8-5-9-13-23)27-19-18-26-21-16-14-20(25)15-17-21/h4-17H,18-19H2,1-3H3
InChIKeyFSPFATCQOPZSIS-UHFFFAOYSA-N
MW455.47 g/mol
LogP5.40
Rot. Bonds7

About 2-(4-bromophenoxy)ethoxy-tert-butyl-diphenylsilane

2-(4-bromophenoxy)ethoxy-tert-butyl-diphenylsilane (PubChem CID 91800510) has the molecular formula C24H27BrO2Si and a molecular weight of 455.47 g/mol. Its IUPAC name is 2-(4-bromophenoxy)ethoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name2-(4-bromophenoxy)ethoxy-tert-butyl-diphenylsilane
PubChem CID91800510
Molecular FormulaC24H27BrO2Si
Molecular Weight455.47 g/mol
Exact Mass454.10
IUPAC Name2-(4-bromophenoxy)ethoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OCCOc1ccc(Br)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H27BrO2Si/c1-24(2,3)28(22-10-6-4-7-11-22,23-12-8-5-9-13-23)27-19-18-26-21-16-14-20(25)15-17-21/h4-17H,18-19H2,1-3H3
InChIKeyFSPFATCQOPZSIS-UHFFFAOYSA-N
XLogP5.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.47
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-1-[4-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]phenyl]ethanone
CID 87439861
tert-butyl-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]-diphenylsilane
CID 68632670
3-bromopropoxy-tert-butyl-diphenylsilane
CID 11245865
tert-butyl-(2-iodoethoxy)-diphenylsilane
CID 11269862
2-[4-[tert-butyl(diphenyl)silyl]oxyphenoxy]ethanol
CID 10916195
tert-butyl-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyldisulfanyl]ethoxy]-diphenylsilane
CID 54264356
2-[tert-butyl(diphenyl)silyl]oxy-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]ethanamine
CID 11146292
8-bromooctoxy-tert-butyl-diphenylsilane
CID 22444390
1-bromo-4-[2-(4-tert-butylphenoxy)ethoxy]benzene
CID 60627963
tert-butyl-(2-nitroethoxy)-diphenylsilane
CID 14974754
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
4-(3-bromophenyl)butoxy-tert-butyl-diphenylsilane
CID 69439190

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)ethoxy-tert-butyl-diphenylsilane?
The IUPAC name of 2-(4-bromophenoxy)ethoxy-tert-butyl-diphenylsilane (CID 91800510) is 2-(4-bromophenoxy)ethoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for 2-(4-bromophenoxy)ethoxy-tert-butyl-diphenylsilane?
The canonical SMILES for 2-(4-bromophenoxy)ethoxy-tert-butyl-diphenylsilane is CC(C)(C)[Si](OCCOc1ccc(Br)cc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(4-bromophenoxy)ethoxy-tert-butyl-diphenylsilane?
The InChIKey is FSPFATCQOPZSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27BrO2Si/c1-24(2,3)28(22-10-6-4-7-11-22,23-12-8-5-9-13-23)27-19-18-26-21-16-14-20(25)15-17-21/h4-17H,18-19H2,1-3H3.
What are the key properties of 2-(4-bromophenoxy)ethoxy-tert-butyl-diphenylsilane?
2-(4-bromophenoxy)ethoxy-tert-butyl-diphenylsilane has a molecular weight of 455.47 g/mol, XLogP of 5.40, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)ethoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 91800510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).