[1-(4-bromophenyl)-2-(4-tert-butylphenyl)ethenoxy]-dimethylsilane

C20H25BrOSi — CID 173315216

IUPAC[1-(4-bromophenyl)-2-(4-tert-butylphenyl)ethenoxy]-dimethylsilane
SMILESC[SiH](C)OC(=Cc1ccc(C(C)(C)C)cc1)c1ccc(Br)cc1
InChIInChI=1S/C20H25BrOSi/c1-20(2,3)17-10-6-15(7-11-17)14-19(22-23(4)5)16-8-12-18(21)13-9-16/h6-14,23H,1-5H3
InChIKeyKARHWMNJLAZXDE-UHFFFAOYSA-N
MW389.41 g/mol
LogP6.24
Rot. Bonds4

About [1-(4-bromophenyl)-2-(4-tert-butylphenyl)ethenoxy]-dimethylsilane

[1-(4-bromophenyl)-2-(4-tert-butylphenyl)ethenoxy]-dimethylsilane (PubChem CID 173315216) has the molecular formula C20H25BrOSi and a molecular weight of 389.41 g/mol. Its IUPAC name is [1-(4-bromophenyl)-2-(4-tert-butylphenyl)ethenoxy]-dimethylsilane.

Molecular Properties

Compound Name[1-(4-bromophenyl)-2-(4-tert-butylphenyl)ethenoxy]-dimethylsilane
PubChem CID173315216
Molecular FormulaC20H25BrOSi
Molecular Weight389.41 g/mol
Exact Mass388.09
IUPAC Name[1-(4-bromophenyl)-2-(4-tert-butylphenyl)ethenoxy]-dimethylsilane
SMILESC[SiH](C)OC(=Cc1ccc(C(C)(C)C)cc1)c1ccc(Br)cc1
InChIInChI=1S/C20H25BrOSi/c1-20(2,3)17-10-6-15(7-11-17)14-19(22-23(4)5)16-8-12-18(21)13-9-16/h6-14,23H,1-5H3
InChIKeyKARHWMNJLAZXDE-UHFFFAOYSA-N
XLogP6.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.41
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(4-bromophenyl)-2-(4-tert-butylphenyl)ethenoxy]-dimethylsilane?
The IUPAC name of [1-(4-bromophenyl)-2-(4-tert-butylphenyl)ethenoxy]-dimethylsilane (CID 173315216) is [1-(4-bromophenyl)-2-(4-tert-butylphenyl)ethenoxy]-dimethylsilane.
What is the SMILES notation for [1-(4-bromophenyl)-2-(4-tert-butylphenyl)ethenoxy]-dimethylsilane?
The canonical SMILES for [1-(4-bromophenyl)-2-(4-tert-butylphenyl)ethenoxy]-dimethylsilane is C[SiH](C)OC(=Cc1ccc(C(C)(C)C)cc1)c1ccc(Br)cc1.
What is the InChIKey of [1-(4-bromophenyl)-2-(4-tert-butylphenyl)ethenoxy]-dimethylsilane?
The InChIKey is KARHWMNJLAZXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrOSi/c1-20(2,3)17-10-6-15(7-11-17)14-19(22-23(4)5)16-8-12-18(21)13-9-16/h6-14,23H,1-5H3.
What are the key properties of [1-(4-bromophenyl)-2-(4-tert-butylphenyl)ethenoxy]-dimethylsilane?
[1-(4-bromophenyl)-2-(4-tert-butylphenyl)ethenoxy]-dimethylsilane has a molecular weight of 389.41 g/mol, XLogP of 6.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromophenyl)-2-(4-tert-butylphenyl)ethenoxy]-dimethylsilane is sourced from PubChem (CID 173315216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).