(4S)-3-[(E,4S,5R)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhex-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C30H41NO4Si — CID 122364543

About (4S)-3-[(E,4S,5R)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhex-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[(E,4S,5R)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhex-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 122364543) has the molecular formula C30H41NO4Si and a molecular weight of 507.75 g/mol. Its IUPAC name is (4S)-3-[(E,4S,5R)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhex-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4S)-3-[(E,4S,5R)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhex-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
• PubChem CID: 122364543
• Molecular Formula: C30H41NO4Si
• Molecular Weight: 507.75 g/mol
• Exact Mass: 507.28
• IUPAC Name: (4S)-3-[(E,4S,5R)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhex-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
• SMILES: C/C(=C\[C@H](C)[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)N1C(=O)OC[C@@H]1C(C)C
• InChI: InChI=1S/C30H41NO4Si/c1-21(2)27-20-34-29(33)31(27)28(32)23(4)19-22(3)24(5)35-36(30(6,7)8,25-15-11-9-12-16-25)26-17-13-10-14-18-26/h9-19,21-22,24,27H,20H2,1-8H3/b23-19+/t22-,24+,27+/m0/s1
• InChIKey: FJRGYFXSXLTMOJ-SXFOULJRSA-N
• XLogP: 5.54
• TPSA: 55.84 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.75
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(E,4S,5R)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhex-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?

The IUPAC name of (4S)-3-[(E,4S,5R)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhex-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 122364543) is (4S)-3-[(E,4S,5R)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhex-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

What is the SMILES notation for (4S)-3-[(E,4S,5R)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhex-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?

The canonical SMILES for (4S)-3-[(E,4S,5R)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhex-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is C/C(=C\[C@H](C)[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)N1C(=O)OC[C@@H]1C(C)C.

What is the InChIKey of (4S)-3-[(E,4S,5R)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhex-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?

The InChIKey is FJRGYFXSXLTMOJ-SXFOULJRSA-N. The full InChI is InChI=1S/C30H41NO4Si/c1-21(2)27-20-34-29(33)31(27)28(32)23(4)19-22(3)24(5)35-36(30(6,7)8,25-15-11-9-12-16-25)26-17-13-10-14-18-26/h9-19,21-22,24,27H,20H2,1-8H3/b23-19+/t22-,24+,27+/m0/s1.

What are the key properties of (4S)-3-[(E,4S,5R)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhex-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?

(4S)-3-[(E,4S,5R)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhex-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 507.75 g/mol, XLogP of 5.54, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-3-[(E,4S,5R)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhex-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 122364543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).