bis[4-(1-bromoethyl)phenyl]-dibutylsilane

C24H34Br2Si — CID 67594782

IUPACbis[4-(1-bromoethyl)phenyl]-dibutylsilane
SMILESCCCC[Si](CCCC)(c1ccc(C(C)Br)cc1)c1ccc(C(C)Br)cc1
InChIInChI=1S/C24H34Br2Si/c1-5-7-17-27(18-8-6-2,23-13-9-21(10-14-23)19(3)25)24-15-11-22(12-16-24)20(4)26/h9-16,19-20H,5-8,17-18H2,1-4H3
InChIKeyQWQYUFIVXGRNOM-UHFFFAOYSA-N
MW510.43 g/mol
LogP7.76
Rot. Bonds10

About bis[4-(1-bromoethyl)phenyl]-dibutylsilane

bis[4-(1-bromoethyl)phenyl]-dibutylsilane (PubChem CID 67594782) has the molecular formula C24H34Br2Si and a molecular weight of 510.43 g/mol. Its IUPAC name is bis[4-(1-bromoethyl)phenyl]-dibutylsilane.

Molecular Properties

Compound Namebis[4-(1-bromoethyl)phenyl]-dibutylsilane
PubChem CID67594782
Molecular FormulaC24H34Br2Si
Molecular Weight510.43 g/mol
Exact Mass508.08
IUPAC Namebis[4-(1-bromoethyl)phenyl]-dibutylsilane
SMILESCCCC[Si](CCCC)(c1ccc(C(C)Br)cc1)c1ccc(C(C)Br)cc1
InChIInChI=1S/C24H34Br2Si/c1-5-7-17-27(18-8-6-2,23-13-9-21(10-14-23)19(3)25)24-15-11-22(12-16-24)20(4)26/h9-16,19-20H,5-8,17-18H2,1-4H3
InChIKeyQWQYUFIVXGRNOM-UHFFFAOYSA-N
XLogP7.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.43
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[dibutyl-[4-(cyanomethyl)phenyl]silyl]phenyl]acetonitrile
CID 100920096
4-[dibutyl-(4-hydroxy-3-methylphenyl)silyl]-2-methylphenol
CID 71712305
(4-butan-2-ylphenyl)-[butyl(dimethyl)silyl]oxy-dimethylsilane
CID 20652808
(4-bromophenyl)-tributylsilane
CID 154208001
1-[(1S)-1-bromoethyl]-4-propan-2-ylbenzene
CID 94675608
2-[4-(1-bromoethyl)phenyl]ethyl-triethoxysilane
CID 66846155
1-[bromo-(4-butylphenyl)methyl]-4-propylbenzene
CID 139632496
1-(1-bromo-4-methylpentyl)-4-butylbenzene
CID 55199914
1-(1-bromodecyl)-4-propan-2-ylbenzene
CID 65426216
1-butyl-4-propan-2-ylbenzene;hexane
CID 142937575
1-butyl-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;methane
CID 176687578
1-(1-bromo-2-ethylbutyl)-4-butylbenzene
CID 55199725

Frequently Asked Questions

What is the IUPAC name of bis[4-(1-bromoethyl)phenyl]-dibutylsilane?
The IUPAC name of bis[4-(1-bromoethyl)phenyl]-dibutylsilane (CID 67594782) is bis[4-(1-bromoethyl)phenyl]-dibutylsilane.
What is the SMILES notation for bis[4-(1-bromoethyl)phenyl]-dibutylsilane?
The canonical SMILES for bis[4-(1-bromoethyl)phenyl]-dibutylsilane is CCCC[Si](CCCC)(c1ccc(C(C)Br)cc1)c1ccc(C(C)Br)cc1.
What is the InChIKey of bis[4-(1-bromoethyl)phenyl]-dibutylsilane?
The InChIKey is QWQYUFIVXGRNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34Br2Si/c1-5-7-17-27(18-8-6-2,23-13-9-21(10-14-23)19(3)25)24-15-11-22(12-16-24)20(4)26/h9-16,19-20H,5-8,17-18H2,1-4H3.
What are the key properties of bis[4-(1-bromoethyl)phenyl]-dibutylsilane?
bis[4-(1-bromoethyl)phenyl]-dibutylsilane has a molecular weight of 510.43 g/mol, XLogP of 7.76, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(1-bromoethyl)phenyl]-dibutylsilane is sourced from PubChem (CID 67594782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).