[(1S,2S)-1,2-bis(4-bromophenyl)-2-[methyl(diphenyl)silyl]oxyethoxy]-methyl-diphenylsilane

C40H36Br2O2Si2 — CID 102172487

IUPAC[(1S,2S)-1,2-bis(4-bromophenyl)-2-[methyl(diphenyl)silyl]oxyethoxy]-methyl-diphenylsilane
SMILESC[Si](O[C@@H](c1ccc(Br)cc1)[C@@H](O[Si](C)(c1ccccc1)c1ccccc1)c1ccc(Br)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C40H36Br2O2Si2/c1-45(35-15-7-3-8-16-35,36-17-9-4-10-18-36)43-39(31-23-27-33(41)28-24-31)40(32-25-29-34(42)30-26-32)44-46(2,37-19-11-5-12-20-37)38-21-13-6-14-22-38/h3-30,39-40H,1-2H3/t39-,40-/m0/s1
InChIKeyIYGBXLXWCRCWTB-ZAQUEYBZSA-N
MW764.71 g/mol
LogP8.81
Rot. Bonds11

About [(1S,2S)-1,2-bis(4-bromophenyl)-2-[methyl(diphenyl)silyl]oxyethoxy]-methyl-diphenylsilane

[(1S,2S)-1,2-bis(4-bromophenyl)-2-[methyl(diphenyl)silyl]oxyethoxy]-methyl-diphenylsilane (PubChem CID 102172487) has the molecular formula C40H36Br2O2Si2 and a molecular weight of 764.71 g/mol. Its IUPAC name is [(1S,2S)-1,2-bis(4-bromophenyl)-2-[methyl(diphenyl)silyl]oxyethoxy]-methyl-diphenylsilane.

Molecular Properties

Compound Name[(1S,2S)-1,2-bis(4-bromophenyl)-2-[methyl(diphenyl)silyl]oxyethoxy]-methyl-diphenylsilane
PubChem CID102172487
Molecular FormulaC40H36Br2O2Si2
Molecular Weight764.71 g/mol
Exact Mass762.06
IUPAC Name[(1S,2S)-1,2-bis(4-bromophenyl)-2-[methyl(diphenyl)silyl]oxyethoxy]-methyl-diphenylsilane
SMILESC[Si](O[C@@H](c1ccc(Br)cc1)[C@@H](O[Si](C)(c1ccccc1)c1ccccc1)c1ccc(Br)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C40H36Br2O2Si2/c1-45(35-15-7-3-8-16-35,36-17-9-4-10-18-36)43-39(31-23-27-33(41)28-24-31)40(32-25-29-34(42)30-26-32)44-46(2,37-19-11-5-12-20-37)38-21-13-6-14-22-38/h3-30,39-40H,1-2H3/t39-,40-/m0/s1
InChIKeyIYGBXLXWCRCWTB-ZAQUEYBZSA-N
XLogP8.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.71
LogP ≤ 58.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [(1S,2S)-1,2-bis(4-bromophenyl)-2-[methyl(diphenyl)silyl]oxyethoxy]-methyl-diphenylsilane?
The IUPAC name of [(1S,2S)-1,2-bis(4-bromophenyl)-2-[methyl(diphenyl)silyl]oxyethoxy]-methyl-diphenylsilane (CID 102172487) is [(1S,2S)-1,2-bis(4-bromophenyl)-2-[methyl(diphenyl)silyl]oxyethoxy]-methyl-diphenylsilane.
What is the SMILES notation for [(1S,2S)-1,2-bis(4-bromophenyl)-2-[methyl(diphenyl)silyl]oxyethoxy]-methyl-diphenylsilane?
The canonical SMILES for [(1S,2S)-1,2-bis(4-bromophenyl)-2-[methyl(diphenyl)silyl]oxyethoxy]-methyl-diphenylsilane is C[Si](O[C@@H](c1ccc(Br)cc1)[C@@H](O[Si](C)(c1ccccc1)c1ccccc1)c1ccc(Br)cc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(1S,2S)-1,2-bis(4-bromophenyl)-2-[methyl(diphenyl)silyl]oxyethoxy]-methyl-diphenylsilane?
The InChIKey is IYGBXLXWCRCWTB-ZAQUEYBZSA-N. The full InChI is InChI=1S/C40H36Br2O2Si2/c1-45(35-15-7-3-8-16-35,36-17-9-4-10-18-36)43-39(31-23-27-33(41)28-24-31)40(32-25-29-34(42)30-26-32)44-46(2,37-19-11-5-12-20-37)38-21-13-6-14-22-38/h3-30,39-40H,1-2H3/t39-,40-/m0/s1.
What are the key properties of [(1S,2S)-1,2-bis(4-bromophenyl)-2-[methyl(diphenyl)silyl]oxyethoxy]-methyl-diphenylsilane?
[(1S,2S)-1,2-bis(4-bromophenyl)-2-[methyl(diphenyl)silyl]oxyethoxy]-methyl-diphenylsilane has a molecular weight of 764.71 g/mol, XLogP of 8.81, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-1,2-bis(4-bromophenyl)-2-[methyl(diphenyl)silyl]oxyethoxy]-methyl-diphenylsilane is sourced from PubChem (CID 102172487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).