methyl bis[2-[methyl(diphenyl)silyl]ethyl] phosphite

C31H37O3PSi2 — CID 10098919

IUPACmethyl bis[2-[methyl(diphenyl)silyl]ethyl] phosphite
SMILESCOP(OCC[Si](C)(c1ccccc1)c1ccccc1)OCC[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H37O3PSi2/c1-32-35(33-24-26-36(2,28-16-8-4-9-17-28)29-18-10-5-11-19-29)34-25-27-37(3,30-20-12-6-13-21-30)31-22-14-7-15-23-31/h4-23H,24-27H2,1-3H3
InChIKeySJCBRIFQUSEWRL-UHFFFAOYSA-N
MW544.78 g/mol
LogP5.68
Rot. Bonds13

About methyl bis[2-[methyl(diphenyl)silyl]ethyl] phosphite

methyl bis[2-[methyl(diphenyl)silyl]ethyl] phosphite (PubChem CID 10098919) has the molecular formula C31H37O3PSi2 and a molecular weight of 544.78 g/mol. Its IUPAC name is methyl bis[2-[methyl(diphenyl)silyl]ethyl] phosphite.

Molecular Properties

Compound Namemethyl bis[2-[methyl(diphenyl)silyl]ethyl] phosphite
PubChem CID10098919
Molecular FormulaC31H37O3PSi2
Molecular Weight544.78 g/mol
Exact Mass544.20
IUPAC Namemethyl bis[2-[methyl(diphenyl)silyl]ethyl] phosphite
SMILESCOP(OCC[Si](C)(c1ccccc1)c1ccccc1)OCC[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H37O3PSi2/c1-32-35(33-24-26-36(2,28-16-8-4-9-17-28)29-18-10-5-11-19-29)34-25-27-37(3,30-20-12-6-13-21-30)31-22-14-7-15-23-31/h4-23H,24-27H2,1-3H3
InChIKeySJCBRIFQUSEWRL-UHFFFAOYSA-N
XLogP5.68
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.78
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl bis[2-[methyl(diphenyl)silyl]ethyl] phosphite?
The IUPAC name of methyl bis[2-[methyl(diphenyl)silyl]ethyl] phosphite (CID 10098919) is methyl bis[2-[methyl(diphenyl)silyl]ethyl] phosphite.
What is the SMILES notation for methyl bis[2-[methyl(diphenyl)silyl]ethyl] phosphite?
The canonical SMILES for methyl bis[2-[methyl(diphenyl)silyl]ethyl] phosphite is COP(OCC[Si](C)(c1ccccc1)c1ccccc1)OCC[Si](C)(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl bis[2-[methyl(diphenyl)silyl]ethyl] phosphite?
The InChIKey is SJCBRIFQUSEWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37O3PSi2/c1-32-35(33-24-26-36(2,28-16-8-4-9-17-28)29-18-10-5-11-19-29)34-25-27-37(3,30-20-12-6-13-21-30)31-22-14-7-15-23-31/h4-23H,24-27H2,1-3H3.
What are the key properties of methyl bis[2-[methyl(diphenyl)silyl]ethyl] phosphite?
methyl bis[2-[methyl(diphenyl)silyl]ethyl] phosphite has a molecular weight of 544.78 g/mol, XLogP of 5.68, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl bis[2-[methyl(diphenyl)silyl]ethyl] phosphite is sourced from PubChem (CID 10098919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).