bis[2-bromo-5-tri(propan-2-yl)silyloxyphenyl]-dimethylsilane

C32H54Br2O2Si3 — CID 153285022

IUPACbis[2-bromo-5-tri(propan-2-yl)silyloxyphenyl]-dimethylsilane
SMILESCC(C)[Si](Oc1ccc(Br)c([Si](C)(C)c2cc(O[Si](C(C)C)(C(C)C)C(C)C)ccc2Br)c1)(C(C)C)C(C)C
InChIInChI=1S/C32H54Br2O2Si3/c1-21(2)38(22(3)4,23(5)6)35-27-15-17-29(33)31(19-27)37(13,14)32-20-28(16-18-30(32)34)36-39(24(7)8,25(9)10)26(11)12/h15-26H,1-14H3
InChIKeyQHZCXOFLFBYVBG-UHFFFAOYSA-N
MW714.85 g/mol
LogP11.14
Rot. Bonds12

About bis[2-bromo-5-tri(propan-2-yl)silyloxyphenyl]-dimethylsilane

bis[2-bromo-5-tri(propan-2-yl)silyloxyphenyl]-dimethylsilane (PubChem CID 153285022) has the molecular formula C32H54Br2O2Si3 and a molecular weight of 714.85 g/mol. Its IUPAC name is bis[2-bromo-5-tri(propan-2-yl)silyloxyphenyl]-dimethylsilane.

Molecular Properties

Compound Namebis[2-bromo-5-tri(propan-2-yl)silyloxyphenyl]-dimethylsilane
PubChem CID153285022
Molecular FormulaC32H54Br2O2Si3
Molecular Weight714.85 g/mol
Exact Mass712.18
IUPAC Namebis[2-bromo-5-tri(propan-2-yl)silyloxyphenyl]-dimethylsilane
SMILESCC(C)[Si](Oc1ccc(Br)c([Si](C)(C)c2cc(O[Si](C(C)C)(C(C)C)C(C)C)ccc2Br)c1)(C(C)C)C(C)C
InChIInChI=1S/C32H54Br2O2Si3/c1-21(2)38(22(3)4,23(5)6)35-27-15-17-29(33)31(19-27)37(13,14)32-20-28(16-18-30(32)34)36-39(24(7)8,25(9)10)26(11)12/h15-26H,1-14H3
InChIKeyQHZCXOFLFBYVBG-UHFFFAOYSA-N
XLogP11.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.85
LogP ≤ 511.14
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 bis[2-bromo-5-tri(propan-2-yl)silyloxyphenyl]-dimethylsilane?
The IUPAC name of bis[2-bromo-5-tri(propan-2-yl)silyloxyphenyl]-dimethylsilane (CID 153285022) is bis[2-bromo-5-tri(propan-2-yl)silyloxyphenyl]-dimethylsilane.
What is the SMILES notation for bis[2-bromo-5-tri(propan-2-yl)silyloxyphenyl]-dimethylsilane?
The canonical SMILES for bis[2-bromo-5-tri(propan-2-yl)silyloxyphenyl]-dimethylsilane is CC(C)[Si](Oc1ccc(Br)c([Si](C)(C)c2cc(O[Si](C(C)C)(C(C)C)C(C)C)ccc2Br)c1)(C(C)C)C(C)C.
What is the InChIKey of bis[2-bromo-5-tri(propan-2-yl)silyloxyphenyl]-dimethylsilane?
The InChIKey is QHZCXOFLFBYVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H54Br2O2Si3/c1-21(2)38(22(3)4,23(5)6)35-27-15-17-29(33)31(19-27)37(13,14)32-20-28(16-18-30(32)34)36-39(24(7)8,25(9)10)26(11)12/h15-26H,1-14H3.
What are the key properties of bis[2-bromo-5-tri(propan-2-yl)silyloxyphenyl]-dimethylsilane?
bis[2-bromo-5-tri(propan-2-yl)silyloxyphenyl]-dimethylsilane has a molecular weight of 714.85 g/mol, XLogP of 11.14, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-bromo-5-tri(propan-2-yl)silyloxyphenyl]-dimethylsilane is sourced from PubChem (CID 153285022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).