diphenyl-[(5E)-5-[(4S)-4-propan-2-yl-1,3-oxazolidin-2-ylidene]-4-trimethylsilylcyclopenta-1,3-dien-1-yl]phosphane

C26H32NOPSi — CID 138968825

About diphenyl-[(5E)-5-[(4S)-4-propan-2-yl-1,3-oxazolidin-2-ylidene]-4-trimethylsilylcyclopenta-1,3-dien-1-yl]phosphane

diphenyl-[(5E)-5-[(4S)-4-propan-2-yl-1,3-oxazolidin-2-ylidene]-4-trimethylsilylcyclopenta-1,3-dien-1-yl]phosphane (PubChem CID 138968825) has the molecular formula C26H32NOPSi and a molecular weight of 433.61 g/mol. Its IUPAC name is diphenyl-[(5E)-5-[(4S)-4-propan-2-yl-1,3-oxazolidin-2-ylidene]-4-trimethylsilylcyclopenta-1,3-dien-1-yl]phosphane.

Molecular Properties

• Compound Name: diphenyl-[(5E)-5-[(4S)-4-propan-2-yl-1,3-oxazolidin-2-ylidene]-4-trimethylsilylcyclopenta-1,3-dien-1-yl]phosphane
• PubChem CID: 138968825
• Molecular Formula: C26H32NOPSi
• Molecular Weight: 433.61 g/mol
• Exact Mass: 433.20
• IUPAC Name: diphenyl-[(5E)-5-[(4S)-4-propan-2-yl-1,3-oxazolidin-2-ylidene]-4-trimethylsilylcyclopenta-1,3-dien-1-yl]phosphane
• SMILES: CC(C)[C@H]1CO/C(=C2/C(P(c3ccccc3)c3ccccc3)=CC=C2[Si](C)(C)C)N1
• InChI: InChI=1S/C26H32NOPSi/c1-19(2)22-18-28-26(27-22)25-23(16-17-24(25)30(3,4)5)29(20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-17,19,22,27H,18H2,1-5H3/b26-25-/t22-/m1/s1
• InChIKey: SUEWHEROWYKYNK-FPEJUQHSSA-N
• XLogP: 5.68
• TPSA: 21.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.61
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of diphenyl-[(5E)-5-[(4S)-4-propan-2-yl-1,3-oxazolidin-2-ylidene]-4-trimethylsilylcyclopenta-1,3-dien-1-yl]phosphane?

The IUPAC name of diphenyl-[(5E)-5-[(4S)-4-propan-2-yl-1,3-oxazolidin-2-ylidene]-4-trimethylsilylcyclopenta-1,3-dien-1-yl]phosphane (CID 138968825) is diphenyl-[(5E)-5-[(4S)-4-propan-2-yl-1,3-oxazolidin-2-ylidene]-4-trimethylsilylcyclopenta-1,3-dien-1-yl]phosphane.

What is the SMILES notation for diphenyl-[(5E)-5-[(4S)-4-propan-2-yl-1,3-oxazolidin-2-ylidene]-4-trimethylsilylcyclopenta-1,3-dien-1-yl]phosphane?

The canonical SMILES for diphenyl-[(5E)-5-[(4S)-4-propan-2-yl-1,3-oxazolidin-2-ylidene]-4-trimethylsilylcyclopenta-1,3-dien-1-yl]phosphane is CC(C)[C@H]1CO/C(=C2/C(P(c3ccccc3)c3ccccc3)=CC=C2[Si](C)(C)C)N1.

What is the InChIKey of diphenyl-[(5E)-5-[(4S)-4-propan-2-yl-1,3-oxazolidin-2-ylidene]-4-trimethylsilylcyclopenta-1,3-dien-1-yl]phosphane?

The InChIKey is SUEWHEROWYKYNK-FPEJUQHSSA-N. The full InChI is InChI=1S/C26H32NOPSi/c1-19(2)22-18-28-26(27-22)25-23(16-17-24(25)30(3,4)5)29(20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-17,19,22,27H,18H2,1-5H3/b26-25-/t22-/m1/s1.

What are the key properties of diphenyl-[(5E)-5-[(4S)-4-propan-2-yl-1,3-oxazolidin-2-ylidene]-4-trimethylsilylcyclopenta-1,3-dien-1-yl]phosphane?

diphenyl-[(5E)-5-[(4S)-4-propan-2-yl-1,3-oxazolidin-2-ylidene]-4-trimethylsilylcyclopenta-1,3-dien-1-yl]phosphane has a molecular weight of 433.61 g/mol, XLogP of 5.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for diphenyl-[(5E)-5-[(4S)-4-propan-2-yl-1,3-oxazolidin-2-ylidene]-4-trimethylsilylcyclopenta-1,3-dien-1-yl]phosphane is sourced from PubChem (CID 138968825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).