bis(bis(1-phenoxypropan-2-yloxy)-diphenylsilane);propane

C66H80O8Si2 — CID 91174551

IUPACbis(bis(1-phenoxypropan-2-yloxy)-diphenylsilane);propane
SMILESCC(COc1ccccc1)O[Si](OC(C)COc1ccccc1)(c1ccccc1)c1ccccc1.CC(COc1ccccc1)O[Si](OC(C)COc1ccccc1)(c1ccccc1)c1ccccc1.CCC.CCC
InChIInChI=1S/2C30H32O4Si.2C3H8/c2*1-25(23-31-27-15-7-3-8-16-27)33-35(29-19-11-5-12-20-29,30-21-13-6-14-22-30)34-26(2)24-32-28-17-9-4-10-18-28;2*1-3-2/h2*3-22,25-26H,23-24H2,1-2H3;2*3H2,1-2H3
InChIKeyXVJPKRKCIIJZOA-UHFFFAOYSA-N
MW1057.53 g/mol
LogP13.26
Rot. Bonds24

About bis(bis(1-phenoxypropan-2-yloxy)-diphenylsilane);propane

bis(bis(1-phenoxypropan-2-yloxy)-diphenylsilane);propane (PubChem CID 91174551) has the molecular formula C66H80O8Si2 and a molecular weight of 1057.53 g/mol. Its IUPAC name is bis(bis(1-phenoxypropan-2-yloxy)-diphenylsilane);propane.

Molecular Properties

Compound Namebis(bis(1-phenoxypropan-2-yloxy)-diphenylsilane);propane
PubChem CID91174551
Molecular FormulaC66H80O8Si2
Molecular Weight1057.53 g/mol
Exact Mass1056.54
IUPAC Namebis(bis(1-phenoxypropan-2-yloxy)-diphenylsilane);propane
SMILESCC(COc1ccccc1)O[Si](OC(C)COc1ccccc1)(c1ccccc1)c1ccccc1.CC(COc1ccccc1)O[Si](OC(C)COc1ccccc1)(c1ccccc1)c1ccccc1.CCC.CCC
InChIInChI=1S/2C30H32O4Si.2C3H8/c2*1-25(23-31-27-15-7-3-8-16-27)33-35(29-19-11-5-12-20-29,30-21-13-6-14-22-30)34-26(2)24-32-28-17-9-4-10-18-28;2*1-3-2/h2*3-22,25-26H,23-24H2,1-2H3;2*3H2,1-2H3
InChIKeyXVJPKRKCIIJZOA-UHFFFAOYSA-N
XLogP13.26
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds24
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001057.53
LogP ≤ 513.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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(bis(1-phenoxypropan-2-yloxy)-diphenylsilane);propane?
The IUPAC name of bis(bis(1-phenoxypropan-2-yloxy)-diphenylsilane);propane (CID 91174551) is bis(bis(1-phenoxypropan-2-yloxy)-diphenylsilane);propane.
What is the SMILES notation for bis(bis(1-phenoxypropan-2-yloxy)-diphenylsilane);propane?
The canonical SMILES for bis(bis(1-phenoxypropan-2-yloxy)-diphenylsilane);propane is CC(COc1ccccc1)O[Si](OC(C)COc1ccccc1)(c1ccccc1)c1ccccc1.CC(COc1ccccc1)O[Si](OC(C)COc1ccccc1)(c1ccccc1)c1ccccc1.CCC.CCC.
What is the InChIKey of bis(bis(1-phenoxypropan-2-yloxy)-diphenylsilane);propane?
The InChIKey is XVJPKRKCIIJZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H32O4Si.2C3H8/c2*1-25(23-31-27-15-7-3-8-16-27)33-35(29-19-11-5-12-20-29,30-21-13-6-14-22-30)34-26(2)24-32-28-17-9-4-10-18-28;2*1-3-2/h2*3-22,25-26H,23-24H2,1-2H3;2*3H2,1-2H3.
What are the key properties of bis(bis(1-phenoxypropan-2-yloxy)-diphenylsilane);propane?
bis(bis(1-phenoxypropan-2-yloxy)-diphenylsilane);propane has a molecular weight of 1057.53 g/mol, XLogP of 13.26, 24 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(bis(1-phenoxypropan-2-yloxy)-diphenylsilane);propane is sourced from PubChem (CID 91174551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).