(2R)-1-triphenylsilyl-3-(2-triphenylsilylethoxy)propan-2-ol

C41H40O2Si2 — CID 99771259

IUPAC(2R)-1-triphenylsilyl-3-(2-triphenylsilylethoxy)propan-2-ol
SMILESO[C@H](COCC[Si](c1ccccc1)(c1ccccc1)c1ccccc1)C[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C41H40O2Si2/c42-35(34-45(39-25-13-4-14-26-39,40-27-15-5-16-28-40)41-29-17-6-18-30-41)33-43-31-32-44(36-19-7-1-8-20-36,37-21-9-2-10-22-37)38-23-11-3-12-24-38/h1-30,35,42H,31-34H2/t35-/m1/s1
InChIKeyOMOCFOGSUDOTTP-PGUFJCEWSA-N
MW620.94 g/mol
LogP4.70
Rot. Bonds13

About (2R)-1-triphenylsilyl-3-(2-triphenylsilylethoxy)propan-2-ol

(2R)-1-triphenylsilyl-3-(2-triphenylsilylethoxy)propan-2-ol (PubChem CID 99771259) has the molecular formula C41H40O2Si2 and a molecular weight of 620.94 g/mol. Its IUPAC name is (2R)-1-triphenylsilyl-3-(2-triphenylsilylethoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-triphenylsilyl-3-(2-triphenylsilylethoxy)propan-2-ol
PubChem CID99771259
Molecular FormulaC41H40O2Si2
Molecular Weight620.94 g/mol
Exact Mass620.26
IUPAC Name(2R)-1-triphenylsilyl-3-(2-triphenylsilylethoxy)propan-2-ol
SMILESO[C@H](COCC[Si](c1ccccc1)(c1ccccc1)c1ccccc1)C[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C41H40O2Si2/c42-35(34-45(39-25-13-4-14-26-39,40-27-15-5-16-28-40)41-29-17-6-18-30-41)33-43-31-32-44(36-19-7-1-8-20-36,37-21-9-2-10-22-37)38-23-11-3-12-24-38/h1-30,35,42H,31-34H2/t35-/m1/s1
InChIKeyOMOCFOGSUDOTTP-PGUFJCEWSA-N
XLogP4.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500620.94
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-triphenylsilyl-3-(2-triphenylsilylethoxy)propan-2-ol?
The IUPAC name of (2R)-1-triphenylsilyl-3-(2-triphenylsilylethoxy)propan-2-ol (CID 99771259) is (2R)-1-triphenylsilyl-3-(2-triphenylsilylethoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-triphenylsilyl-3-(2-triphenylsilylethoxy)propan-2-ol?
The canonical SMILES for (2R)-1-triphenylsilyl-3-(2-triphenylsilylethoxy)propan-2-ol is O[C@H](COCC[Si](c1ccccc1)(c1ccccc1)c1ccccc1)C[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-1-triphenylsilyl-3-(2-triphenylsilylethoxy)propan-2-ol?
The InChIKey is OMOCFOGSUDOTTP-PGUFJCEWSA-N. The full InChI is InChI=1S/C41H40O2Si2/c42-35(34-45(39-25-13-4-14-26-39,40-27-15-5-16-28-40)41-29-17-6-18-30-41)33-43-31-32-44(36-19-7-1-8-20-36,37-21-9-2-10-22-37)38-23-11-3-12-24-38/h1-30,35,42H,31-34H2/t35-/m1/s1.
What are the key properties of (2R)-1-triphenylsilyl-3-(2-triphenylsilylethoxy)propan-2-ol?
(2R)-1-triphenylsilyl-3-(2-triphenylsilylethoxy)propan-2-ol has a molecular weight of 620.94 g/mol, XLogP of 4.70, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-triphenylsilyl-3-(2-triphenylsilylethoxy)propan-2-ol is sourced from PubChem (CID 99771259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).