(5S,7R,8R)-5-[[dimethyl(phenyl)silyl]methyl]-7-[(1S)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-1,2,5,6,7,8-hexahydropyrrolizin-3-one

C33H49NO2Si — CID 24851429

About (5S,7R,8R)-5-[[dimethyl(phenyl)silyl]methyl]-7-[(1S)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-1,2,5,6,7,8-hexahydropyrrolizin-3-one

(5S,7R,8R)-5-[[dimethyl(phenyl)silyl]methyl]-7-[(1S)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-1,2,5,6,7,8-hexahydropyrrolizin-3-one (PubChem CID 24851429) has the molecular formula C33H49NO2Si and a molecular weight of 519.85 g/mol. Its IUPAC name is (5S,7R,8R)-5-[[dimethyl(phenyl)silyl]methyl]-7-[(1S)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-1,2,5,6,7,8-hexahydropyrrolizin-3-one.

Molecular Properties

• Compound Name: (5S,7R,8R)-5-[[dimethyl(phenyl)silyl]methyl]-7-[(1S)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-1,2,5,6,7,8-hexahydropyrrolizin-3-one
• PubChem CID: 24851429
• Molecular Formula: C33H49NO2Si
• Molecular Weight: 519.85 g/mol
• Exact Mass: 519.35
• IUPAC Name: (5S,7R,8R)-5-[[dimethyl(phenyl)silyl]methyl]-7-[(1S)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-1,2,5,6,7,8-hexahydropyrrolizin-3-one
• SMILES: CC(C)c1cc(C(C)C)c([C@H](C)O[C@@H]2C[C@@H](C[Si](C)(C)c3ccccc3)N3C(=O)CC[C@H]23)c(C(C)C)c1
• InChI: InChI=1S/C33H49NO2Si/c1-21(2)25-17-28(22(3)4)33(29(18-25)23(5)6)24(7)36-31-19-26(34-30(31)15-16-32(34)35)20-37(8,9)27-13-11-10-12-14-27/h10-14,17-18,21-24,26,30-31H,15-16,19-20H2,1-9H3/t24-,26-,30+,31+/m0/s1
• InChIKey: VBYDLYSTGUACHB-CBVMVLCFSA-N
• XLogP: 7.88
• TPSA: 29.54 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.85
LogP ≤ 5	7.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5S,7R,8R)-5-[[dimethyl(phenyl)silyl]methyl]-7-[(1S)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-1,2,5,6,7,8-hexahydropyrrolizin-3-one?

The IUPAC name of (5S,7R,8R)-5-[[dimethyl(phenyl)silyl]methyl]-7-[(1S)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-1,2,5,6,7,8-hexahydropyrrolizin-3-one (CID 24851429) is (5S,7R,8R)-5-[[dimethyl(phenyl)silyl]methyl]-7-[(1S)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-1,2,5,6,7,8-hexahydropyrrolizin-3-one.

What is the SMILES notation for (5S,7R,8R)-5-[[dimethyl(phenyl)silyl]methyl]-7-[(1S)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-1,2,5,6,7,8-hexahydropyrrolizin-3-one?

The canonical SMILES for (5S,7R,8R)-5-[[dimethyl(phenyl)silyl]methyl]-7-[(1S)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-1,2,5,6,7,8-hexahydropyrrolizin-3-one is CC(C)c1cc(C(C)C)c([C@H](C)O[C@@H]2C[C@@H](C[Si](C)(C)c3ccccc3)N3C(=O)CC[C@H]23)c(C(C)C)c1.

What is the InChIKey of (5S,7R,8R)-5-[[dimethyl(phenyl)silyl]methyl]-7-[(1S)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-1,2,5,6,7,8-hexahydropyrrolizin-3-one?

The InChIKey is VBYDLYSTGUACHB-CBVMVLCFSA-N. The full InChI is InChI=1S/C33H49NO2Si/c1-21(2)25-17-28(22(3)4)33(29(18-25)23(5)6)24(7)36-31-19-26(34-30(31)15-16-32(34)35)20-37(8,9)27-13-11-10-12-14-27/h10-14,17-18,21-24,26,30-31H,15-16,19-20H2,1-9H3/t24-,26-,30+,31+/m0/s1.

What are the key properties of (5S,7R,8R)-5-[[dimethyl(phenyl)silyl]methyl]-7-[(1S)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-1,2,5,6,7,8-hexahydropyrrolizin-3-one?

(5S,7R,8R)-5-[[dimethyl(phenyl)silyl]methyl]-7-[(1S)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-1,2,5,6,7,8-hexahydropyrrolizin-3-one has a molecular weight of 519.85 g/mol, XLogP of 7.88, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (5S,7R,8R)-5-[[dimethyl(phenyl)silyl]methyl]-7-[(1S)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-1,2,5,6,7,8-hexahydropyrrolizin-3-one is sourced from PubChem (CID 24851429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).