[(4R,5R)-5-[(E,1S)-1-[tert-butyl(diphenyl)silyl]oxy-4-(2-trimethylsilylethoxymethoxy)but-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol

C32H50O6Si2 — CID 11671518

About [(4R,5R)-5-[(E,1S)-1-[tert-butyl(diphenyl)silyl]oxy-4-(2-trimethylsilylethoxymethoxy)but-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol

[(4R,5R)-5-[(E,1S)-1-[tert-butyl(diphenyl)silyl]oxy-4-(2-trimethylsilylethoxymethoxy)but-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol (PubChem CID 11671518) has the molecular formula C32H50O6Si2 and a molecular weight of 586.92 g/mol. Its IUPAC name is [(4R,5R)-5-[(E,1S)-1-[tert-butyl(diphenyl)silyl]oxy-4-(2-trimethylsilylethoxymethoxy)but-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol.

Molecular Properties

• Compound Name: [(4R,5R)-5-[(E,1S)-1-[tert-butyl(diphenyl)silyl]oxy-4-(2-trimethylsilylethoxymethoxy)but-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
• PubChem CID: 11671518
• Molecular Formula: C32H50O6Si2
• Molecular Weight: 586.92 g/mol
• Exact Mass: 586.31
• IUPAC Name: [(4R,5R)-5-[(E,1S)-1-[tert-butyl(diphenyl)silyl]oxy-4-(2-trimethylsilylethoxymethoxy)but-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
• SMILES: CC1(C)O[C@@H]([C@H](/C=C/COCOCC[Si](C)(C)C)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](CO)O1
• InChI: InChI=1S/C32H50O6Si2/c1-31(2,3)40(26-16-11-9-12-17-26,27-18-13-10-14-19-27)38-28(30-29(24-33)36-32(4,5)37-30)20-15-21-34-25-35-22-23-39(6,7)8/h9-20,28-30,33H,21-25H2,1-8H3/b20-15+/t28-,29+,30-/m0/s1
• InChIKey: RGCNGQQPDLPRMY-XMWNBEQSSA-N
• XLogP: 5.33
• TPSA: 66.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	586.92
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(4R,5R)-5-[(E,1S)-1-[tert-butyl(diphenyl)silyl]oxy-4-(2-trimethylsilylethoxymethoxy)but-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?

The IUPAC name of [(4R,5R)-5-[(E,1S)-1-[tert-butyl(diphenyl)silyl]oxy-4-(2-trimethylsilylethoxymethoxy)but-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol (CID 11671518) is [(4R,5R)-5-[(E,1S)-1-[tert-butyl(diphenyl)silyl]oxy-4-(2-trimethylsilylethoxymethoxy)but-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol.

What is the SMILES notation for [(4R,5R)-5-[(E,1S)-1-[tert-butyl(diphenyl)silyl]oxy-4-(2-trimethylsilylethoxymethoxy)but-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?

The canonical SMILES for [(4R,5R)-5-[(E,1S)-1-[tert-butyl(diphenyl)silyl]oxy-4-(2-trimethylsilylethoxymethoxy)but-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol is CC1(C)O[C@@H]([C@H](/C=C/COCOCC[Si](C)(C)C)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](CO)O1.

What is the InChIKey of [(4R,5R)-5-[(E,1S)-1-[tert-butyl(diphenyl)silyl]oxy-4-(2-trimethylsilylethoxymethoxy)but-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?

The InChIKey is RGCNGQQPDLPRMY-XMWNBEQSSA-N. The full InChI is InChI=1S/C32H50O6Si2/c1-31(2,3)40(26-16-11-9-12-17-26,27-18-13-10-14-19-27)38-28(30-29(24-33)36-32(4,5)37-30)20-15-21-34-25-35-22-23-39(6,7)8/h9-20,28-30,33H,21-25H2,1-8H3/b20-15+/t28-,29+,30-/m0/s1.

What are the key properties of [(4R,5R)-5-[(E,1S)-1-[tert-butyl(diphenyl)silyl]oxy-4-(2-trimethylsilylethoxymethoxy)but-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?

[(4R,5R)-5-[(E,1S)-1-[tert-butyl(diphenyl)silyl]oxy-4-(2-trimethylsilylethoxymethoxy)but-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol has a molecular weight of 586.92 g/mol, XLogP of 5.33, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(4R,5R)-5-[(E,1S)-1-[tert-butyl(diphenyl)silyl]oxy-4-(2-trimethylsilylethoxymethoxy)but-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 11671518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).