[(1S,2R,3S,5R,8R)-3,5-bis[[dimethyl(phenyl)silyl]methyl]-1-triethylsilyloxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]oxy-triethylsilane

C37H65NO2Si4 — CID 135012334

About [(1S,2R,3S,5R,8R)-3,5-bis[[dimethyl(phenyl)silyl]methyl]-1-triethylsilyloxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]oxy-triethylsilane

[(1S,2R,3S,5R,8R)-3,5-bis[[dimethyl(phenyl)silyl]methyl]-1-triethylsilyloxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]oxy-triethylsilane (PubChem CID 135012334) has the molecular formula C37H65NO2Si4 and a molecular weight of 668.28 g/mol. Its IUPAC name is [(1S,2R,3S,5R,8R)-3,5-bis[[dimethyl(phenyl)silyl]methyl]-1-triethylsilyloxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]oxy-triethylsilane.

Molecular Properties

• Compound Name: [(1S,2R,3S,5R,8R)-3,5-bis[[dimethyl(phenyl)silyl]methyl]-1-triethylsilyloxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]oxy-triethylsilane
• PubChem CID: 135012334
• Molecular Formula: C37H65NO2Si4
• Molecular Weight: 668.28 g/mol
• Exact Mass: 667.41
• IUPAC Name: [(1S,2R,3S,5R,8R)-3,5-bis[[dimethyl(phenyl)silyl]methyl]-1-triethylsilyloxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]oxy-triethylsilane
• SMILES: CC[Si](CC)(CC)O[C@@H]1[C@H](O[Si](CC)(CC)CC)[C@@H](C[Si](C)(C)c2ccccc2)N2[C@@H](C[Si](C)(C)c3ccccc3)CC[C@H]12
• InChI: InChI=1S/C37H65NO2Si4/c1-11-43(12-2,13-3)39-36-34-28-27-31(29-41(7,8)32-23-19-17-20-24-32)38(34)35(37(36)40-44(14-4,15-5)16-6)30-42(9,10)33-25-21-18-22-26-33/h17-26,31,34-37H,11-16,27-30H2,1-10H3/t31-,34-,35-,36+,37-/m1/s1
• InChIKey: YMSNVHALYCDJCG-OZHXDKPASA-N
• XLogP: 9.21
• TPSA: 21.70 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 16
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	668.28
LogP ≤ 5	9.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(1S,2R,3S,5R,8R)-3,5-bis[[dimethyl(phenyl)silyl]methyl]-1-triethylsilyloxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]oxy-triethylsilane?

The IUPAC name of [(1S,2R,3S,5R,8R)-3,5-bis[[dimethyl(phenyl)silyl]methyl]-1-triethylsilyloxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]oxy-triethylsilane (CID 135012334) is [(1S,2R,3S,5R,8R)-3,5-bis[[dimethyl(phenyl)silyl]methyl]-1-triethylsilyloxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]oxy-triethylsilane.

What is the SMILES notation for [(1S,2R,3S,5R,8R)-3,5-bis[[dimethyl(phenyl)silyl]methyl]-1-triethylsilyloxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]oxy-triethylsilane?

The canonical SMILES for [(1S,2R,3S,5R,8R)-3,5-bis[[dimethyl(phenyl)silyl]methyl]-1-triethylsilyloxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]oxy-triethylsilane is CC[Si](CC)(CC)O[C@@H]1[C@H](O[Si](CC)(CC)CC)[C@@H](C[Si](C)(C)c2ccccc2)N2[C@@H](C[Si](C)(C)c3ccccc3)CC[C@H]12.

What is the InChIKey of [(1S,2R,3S,5R,8R)-3,5-bis[[dimethyl(phenyl)silyl]methyl]-1-triethylsilyloxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]oxy-triethylsilane?

The InChIKey is YMSNVHALYCDJCG-OZHXDKPASA-N. The full InChI is InChI=1S/C37H65NO2Si4/c1-11-43(12-2,13-3)39-36-34-28-27-31(29-41(7,8)32-23-19-17-20-24-32)38(34)35(37(36)40-44(14-4,15-5)16-6)30-42(9,10)33-25-21-18-22-26-33/h17-26,31,34-37H,11-16,27-30H2,1-10H3/t31-,34-,35-,36+,37-/m1/s1.

What are the key properties of [(1S,2R,3S,5R,8R)-3,5-bis[[dimethyl(phenyl)silyl]methyl]-1-triethylsilyloxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]oxy-triethylsilane?

[(1S,2R,3S,5R,8R)-3,5-bis[[dimethyl(phenyl)silyl]methyl]-1-triethylsilyloxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]oxy-triethylsilane has a molecular weight of 668.28 g/mol, XLogP of 9.21, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S,2R,3S,5R,8R)-3,5-bis[[dimethyl(phenyl)silyl]methyl]-1-triethylsilyloxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]oxy-triethylsilane is sourced from PubChem (CID 135012334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).