4-(3-bromophenyl)butoxy-tert-butyl-diphenylsilane

C26H31BrOSi — CID 69439190

IUPAC4-(3-bromophenyl)butoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OCCCCc1cccc(Br)c1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H31BrOSi/c1-26(2,3)29(24-16-6-4-7-17-24,25-18-8-5-9-19-25)28-20-11-10-13-22-14-12-15-23(27)21-22/h4-9,12,14-19,21H,10-11,13,20H2,1-3H3
InChIKeyWBHZBQZJPITUDD-UHFFFAOYSA-N
MW467.52 g/mol
LogP6.35
Rot. Bonds8

About 4-(3-bromophenyl)butoxy-tert-butyl-diphenylsilane

4-(3-bromophenyl)butoxy-tert-butyl-diphenylsilane (PubChem CID 69439190) has the molecular formula C26H31BrOSi and a molecular weight of 467.52 g/mol. Its IUPAC name is 4-(3-bromophenyl)butoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name4-(3-bromophenyl)butoxy-tert-butyl-diphenylsilane
PubChem CID69439190
Molecular FormulaC26H31BrOSi
Molecular Weight467.52 g/mol
Exact Mass466.13
IUPAC Name4-(3-bromophenyl)butoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OCCCCc1cccc(Br)c1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H31BrOSi/c1-26(2,3)29(24-16-6-4-7-17-24,25-18-8-5-9-19-25)28-20-11-10-13-22-14-12-15-23(27)21-22/h4-9,12,14-19,21H,10-11,13,20H2,1-3H3
InChIKeyWBHZBQZJPITUDD-UHFFFAOYSA-N
XLogP6.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.52
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

4-[4-[tert-butyl(diphenyl)silyl]oxybutyl]phenol
CID 102173956
8-bromooctoxy-tert-butyl-diphenylsilane
CID 22444390
tert-butyl-[5-(furan-3-yl)pentoxy]-diphenylsilane
CID 11153578
3-bromopropoxy-tert-butyl-diphenylsilane
CID 11245865
2-(3-bromophenyl)ethoxy-tert-butyl-dimethylsilane
CID 11515183
5-bromo-2-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-2,3-dihydro-1H-inden-1-ol
CID 23079270
1-bromo-3-(6-phenylhexyl)benzene
CID 145197049
tert-butyl-(10-iododecoxy)-diphenylsilane
CID 10994946
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
tert-butyl-(5-iodopentoxy)-diphenylsilane
CID 10003991
tert-butyl-[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propoxy]-diphenylsilane
CID 102246866
[2-[(3-bromophenyl)methyl]phenyl]-[[2-[(3-bromophenyl)methyl]phenyl]-tert-butyl-phenylsilyl]oxy-tert-butyl-phenylsilane
CID 142646296

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)butoxy-tert-butyl-diphenylsilane?
The IUPAC name of 4-(3-bromophenyl)butoxy-tert-butyl-diphenylsilane (CID 69439190) is 4-(3-bromophenyl)butoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for 4-(3-bromophenyl)butoxy-tert-butyl-diphenylsilane?
The canonical SMILES for 4-(3-bromophenyl)butoxy-tert-butyl-diphenylsilane is CC(C)(C)[Si](OCCCCc1cccc(Br)c1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-(3-bromophenyl)butoxy-tert-butyl-diphenylsilane?
The InChIKey is WBHZBQZJPITUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31BrOSi/c1-26(2,3)29(24-16-6-4-7-17-24,25-18-8-5-9-19-25)28-20-11-10-13-22-14-12-15-23(27)21-22/h4-9,12,14-19,21H,10-11,13,20H2,1-3H3.
What are the key properties of 4-(3-bromophenyl)butoxy-tert-butyl-diphenylsilane?
4-(3-bromophenyl)butoxy-tert-butyl-diphenylsilane has a molecular weight of 467.52 g/mol, XLogP of 6.35, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)butoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 69439190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).