bis[(4-bromophenyl)methyl]-diethylsilane

C18H22Br2Si — CID 71441878

IUPACbis[(4-bromophenyl)methyl]-diethylsilane
SMILESCC[Si](CC)(Cc1ccc(Br)cc1)Cc1ccc(Br)cc1
InChIInChI=1S/C18H22Br2Si/c1-3-21(4-2,13-15-5-9-17(19)10-6-15)14-16-7-11-18(20)12-8-16/h5-12H,3-4,13-14H2,1-2H3
InChIKeyNASGXYKQFXGKKA-UHFFFAOYSA-N
MW426.27 g/mol
LogP6.56
Rot. Bonds6

About bis[(4-bromophenyl)methyl]-diethylsilane

bis[(4-bromophenyl)methyl]-diethylsilane (PubChem CID 71441878) has the molecular formula C18H22Br2Si and a molecular weight of 426.27 g/mol. Its IUPAC name is bis[(4-bromophenyl)methyl]-diethylsilane.

Molecular Properties

Compound Namebis[(4-bromophenyl)methyl]-diethylsilane
PubChem CID71441878
Molecular FormulaC18H22Br2Si
Molecular Weight426.27 g/mol
Exact Mass423.99
IUPAC Namebis[(4-bromophenyl)methyl]-diethylsilane
SMILESCC[Si](CC)(Cc1ccc(Br)cc1)Cc1ccc(Br)cc1
InChIInChI=1S/C18H22Br2Si/c1-3-21(4-2,13-15-5-9-17(19)10-6-15)14-16-7-11-18(20)12-8-16/h5-12H,3-4,13-14H2,1-2H3
InChIKeyNASGXYKQFXGKKA-UHFFFAOYSA-N
XLogP6.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.27
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-4-ethylbenzene
CID 15313
(4-bromophenyl)methyl-tert-butyl-dimethylsilane
CID 54547994
1-bromo-4-ethylbenzene;N-methylmethanamine
CID 143984882
1-bromo-4-[2-(4-bromophenyl)ethyl]benzene
CID 12594240
magnesium;1-bromo-4-propylbenzene;hydride
CID 173224874
1-bromo-4-dodecylbenzene
CID 15120506
1-bromo-4-hexadecylbenzene
CID 598602
1-bromo-4-tetradecylbenzene
CID 71337489
(4-bromophenyl)methylazanium
CID 6951353
CID 11811178
CID 11811178
1-bromo-4-ethylbenzene
CID 20805498
1-bromo-4-(bromomethyl)benzene;hydrofluoride
CID 175432482

Frequently Asked Questions

What is the IUPAC name of bis[(4-bromophenyl)methyl]-diethylsilane?
The IUPAC name of bis[(4-bromophenyl)methyl]-diethylsilane (CID 71441878) is bis[(4-bromophenyl)methyl]-diethylsilane.
What is the SMILES notation for bis[(4-bromophenyl)methyl]-diethylsilane?
The canonical SMILES for bis[(4-bromophenyl)methyl]-diethylsilane is CC[Si](CC)(Cc1ccc(Br)cc1)Cc1ccc(Br)cc1.
What is the InChIKey of bis[(4-bromophenyl)methyl]-diethylsilane?
The InChIKey is NASGXYKQFXGKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Br2Si/c1-3-21(4-2,13-15-5-9-17(19)10-6-15)14-16-7-11-18(20)12-8-16/h5-12H,3-4,13-14H2,1-2H3.
What are the key properties of bis[(4-bromophenyl)methyl]-diethylsilane?
bis[(4-bromophenyl)methyl]-diethylsilane has a molecular weight of 426.27 g/mol, XLogP of 6.56, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(4-bromophenyl)methyl]-diethylsilane is sourced from PubChem (CID 71441878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).