(4R)-4-benzyl-3-[2-[(3R)-8-tri(propan-2-yl)silyloct-1-en-7-yn-3-yl]oxyacetyl]-1,3-oxazolidin-2-one

C29H43NO4Si — CID 11634682

About (4R)-4-benzyl-3-[2-[(3R)-8-tri(propan-2-yl)silyloct-1-en-7-yn-3-yl]oxyacetyl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[2-[(3R)-8-tri(propan-2-yl)silyloct-1-en-7-yn-3-yl]oxyacetyl]-1,3-oxazolidin-2-one (PubChem CID 11634682) has the molecular formula C29H43NO4Si and a molecular weight of 497.75 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[2-[(3R)-8-tri(propan-2-yl)silyloct-1-en-7-yn-3-yl]oxyacetyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4R)-4-benzyl-3-[2-[(3R)-8-tri(propan-2-yl)silyloct-1-en-7-yn-3-yl]oxyacetyl]-1,3-oxazolidin-2-one
• PubChem CID: 11634682
• Molecular Formula: C29H43NO4Si
• Molecular Weight: 497.75 g/mol
• Exact Mass: 497.30
• IUPAC Name: (4R)-4-benzyl-3-[2-[(3R)-8-tri(propan-2-yl)silyloct-1-en-7-yn-3-yl]oxyacetyl]-1,3-oxazolidin-2-one
• SMILES: C=C[C@@H](CCCC#C[Si](C(C)C)(C(C)C)C(C)C)OCC(=O)N1C(=O)OC[C@H]1Cc1ccccc1
• InChI: InChI=1S/C29H43NO4Si/c1-8-27(17-13-10-14-18-35(22(2)3,23(4)5)24(6)7)33-21-28(31)30-26(20-34-29(30)32)19-25-15-11-9-12-16-25/h8-9,11-12,15-16,22-24,26-27H,1,10,13,17,19-21H2,2-7H3/t26-,27+/m1/s1
• InChIKey: AKDCCPSPHMAJAR-SXOMAYOGSA-N
• XLogP: 6.54
• TPSA: 55.84 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.75
LogP ≤ 5	6.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[2-[(3R)-8-tri(propan-2-yl)silyloct-1-en-7-yn-3-yl]oxyacetyl]-1,3-oxazolidin-2-one?

The IUPAC name of (4R)-4-benzyl-3-[2-[(3R)-8-tri(propan-2-yl)silyloct-1-en-7-yn-3-yl]oxyacetyl]-1,3-oxazolidin-2-one (CID 11634682) is (4R)-4-benzyl-3-[2-[(3R)-8-tri(propan-2-yl)silyloct-1-en-7-yn-3-yl]oxyacetyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for (4R)-4-benzyl-3-[2-[(3R)-8-tri(propan-2-yl)silyloct-1-en-7-yn-3-yl]oxyacetyl]-1,3-oxazolidin-2-one?

The canonical SMILES for (4R)-4-benzyl-3-[2-[(3R)-8-tri(propan-2-yl)silyloct-1-en-7-yn-3-yl]oxyacetyl]-1,3-oxazolidin-2-one is C=C[C@@H](CCCC#C[Si](C(C)C)(C(C)C)C(C)C)OCC(=O)N1C(=O)OC[C@H]1Cc1ccccc1.

What is the InChIKey of (4R)-4-benzyl-3-[2-[(3R)-8-tri(propan-2-yl)silyloct-1-en-7-yn-3-yl]oxyacetyl]-1,3-oxazolidin-2-one?

The InChIKey is AKDCCPSPHMAJAR-SXOMAYOGSA-N. The full InChI is InChI=1S/C29H43NO4Si/c1-8-27(17-13-10-14-18-35(22(2)3,23(4)5)24(6)7)33-21-28(31)30-26(20-34-29(30)32)19-25-15-11-9-12-16-25/h8-9,11-12,15-16,22-24,26-27H,1,10,13,17,19-21H2,2-7H3/t26-,27+/m1/s1.

What are the key properties of (4R)-4-benzyl-3-[2-[(3R)-8-tri(propan-2-yl)silyloct-1-en-7-yn-3-yl]oxyacetyl]-1,3-oxazolidin-2-one?

(4R)-4-benzyl-3-[2-[(3R)-8-tri(propan-2-yl)silyloct-1-en-7-yn-3-yl]oxyacetyl]-1,3-oxazolidin-2-one has a molecular weight of 497.75 g/mol, XLogP of 6.54, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-benzyl-3-[2-[(3R)-8-tri(propan-2-yl)silyloct-1-en-7-yn-3-yl]oxyacetyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11634682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).