[(2R,4E,6S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-6-(trityloxymethyl)oxan-2-yl]methanol

C44H48O4Si — CID 139249882

About [(2R,4E,6S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-6-(trityloxymethyl)oxan-2-yl]methanol

[(2R,4E,6S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-6-(trityloxymethyl)oxan-2-yl]methanol (PubChem CID 139249882) has the molecular formula C44H48O4Si and a molecular weight of 668.95 g/mol. Its IUPAC name is [(2R,4E,6S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-6-(trityloxymethyl)oxan-2-yl]methanol.

Molecular Properties

• Compound Name: [(2R,4E,6S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-6-(trityloxymethyl)oxan-2-yl]methanol
• PubChem CID: 139249882
• Molecular Formula: C44H48O4Si
• Molecular Weight: 668.95 g/mol
• Exact Mass: 668.33
• IUPAC Name: [(2R,4E,6S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-6-(trityloxymethyl)oxan-2-yl]methanol
• SMILES: CC(C)(C)[Si](OC/C=C1/C[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@@H](CO)C1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C44H48O4Si/c1-43(2,3)49(41-25-15-7-16-26-41,42-27-17-8-18-28-42)47-30-29-35-31-39(33-45)48-40(32-35)34-46-44(36-19-9-4-10-20-36,37-21-11-5-12-22-37)38-23-13-6-14-24-38/h4-29,39-40,45H,30-34H2,1-3H3/b35-29+/t39-,40+/m1/s1
• InChIKey: OLSLYHRTVBRPMC-UORYXIKXSA-N
• XLogP: 8.04
• TPSA: 47.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	668.95
LogP ≤ 5	8.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,4E,6S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-6-(trityloxymethyl)oxan-2-yl]methanol?

The IUPAC name of [(2R,4E,6S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-6-(trityloxymethyl)oxan-2-yl]methanol (CID 139249882) is [(2R,4E,6S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-6-(trityloxymethyl)oxan-2-yl]methanol.

What is the SMILES notation for [(2R,4E,6S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-6-(trityloxymethyl)oxan-2-yl]methanol?

The canonical SMILES for [(2R,4E,6S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-6-(trityloxymethyl)oxan-2-yl]methanol is CC(C)(C)[Si](OC/C=C1/C[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@@H](CO)C1)(c1ccccc1)c1ccccc1.

What is the InChIKey of [(2R,4E,6S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-6-(trityloxymethyl)oxan-2-yl]methanol?

The InChIKey is OLSLYHRTVBRPMC-UORYXIKXSA-N. The full InChI is InChI=1S/C44H48O4Si/c1-43(2,3)49(41-25-15-7-16-26-41,42-27-17-8-18-28-42)47-30-29-35-31-39(33-45)48-40(32-35)34-46-44(36-19-9-4-10-20-36,37-21-11-5-12-22-37)38-23-13-6-14-24-38/h4-29,39-40,45H,30-34H2,1-3H3/b35-29+/t39-,40+/m1/s1.

What are the key properties of [(2R,4E,6S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-6-(trityloxymethyl)oxan-2-yl]methanol?

[(2R,4E,6S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-6-(trityloxymethyl)oxan-2-yl]methanol has a molecular weight of 668.95 g/mol, XLogP of 8.04, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,4E,6S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethylidene]-6-(trityloxymethyl)oxan-2-yl]methanol is sourced from PubChem (CID 139249882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).