(3-bromophenoxy)-tert-butyl-diphenylsilane

C22H23BrOSi — CID 11015115

IUPAC(3-bromophenoxy)-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](Oc1cccc(Br)c1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H23BrOSi/c1-22(2,3)25(20-13-6-4-7-14-20,21-15-8-5-9-16-21)24-19-12-10-11-18(23)17-19/h4-17H,1-3H3
InChIKeyYVKPULINJBCYPU-UHFFFAOYSA-N
MW411.42 g/mol
LogP5.39
Rot. Bonds4

About (3-bromophenoxy)-tert-butyl-diphenylsilane

(3-bromophenoxy)-tert-butyl-diphenylsilane (PubChem CID 11015115) has the molecular formula C22H23BrOSi and a molecular weight of 411.42 g/mol. Its IUPAC name is (3-bromophenoxy)-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name(3-bromophenoxy)-tert-butyl-diphenylsilane
PubChem CID11015115
Molecular FormulaC22H23BrOSi
Molecular Weight411.42 g/mol
Exact Mass410.07
IUPAC Name(3-bromophenoxy)-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](Oc1cccc(Br)c1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H23BrOSi/c1-22(2,3)25(20-13-6-4-7-14-20,21-15-8-5-9-16-21)24-19-12-10-11-18(23)17-19/h4-17H,1-3H3
InChIKeyYVKPULINJBCYPU-UHFFFAOYSA-N
XLogP5.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.42
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-bromophenoxy)-tert-butyl-diphenylsilane?
The IUPAC name of (3-bromophenoxy)-tert-butyl-diphenylsilane (CID 11015115) is (3-bromophenoxy)-tert-butyl-diphenylsilane.
What is the SMILES notation for (3-bromophenoxy)-tert-butyl-diphenylsilane?
The canonical SMILES for (3-bromophenoxy)-tert-butyl-diphenylsilane is CC(C)(C)[Si](Oc1cccc(Br)c1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3-bromophenoxy)-tert-butyl-diphenylsilane?
The InChIKey is YVKPULINJBCYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrOSi/c1-22(2,3)25(20-13-6-4-7-14-20,21-15-8-5-9-16-21)24-19-12-10-11-18(23)17-19/h4-17H,1-3H3.
What are the key properties of (3-bromophenoxy)-tert-butyl-diphenylsilane?
(3-bromophenoxy)-tert-butyl-diphenylsilane has a molecular weight of 411.42 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenoxy)-tert-butyl-diphenylsilane is sourced from PubChem (CID 11015115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).