[(1S)-1-[(1S,2S)-2-diphenylphosphanylcyclopentyl]-2-methylpropyl]-diphenylphosphane

C₃₃H₃₆P₂ — CID 11698892

About [(1S)-1-[(1S,2S)-2-diphenylphosphanylcyclopentyl]-2-methylpropyl]-diphenylphosphane

[(1S)-1-[(1S,2S)-2-diphenylphosphanylcyclopentyl]-2-methylpropyl]-diphenylphosphane (PubChem CID 11698892) has the molecular formula C₃₃H₃₆P₂ and a molecular weight of 494.60 g/mol. Its IUPAC name is [(1S)-1-[(1S,2S)-2-diphenylphosphanylcyclopentyl]-2-methylpropyl]-diphenylphosphane.

Molecular Properties

• Compound Name: [(1S)-1-[(1S,2S)-2-diphenylphosphanylcyclopentyl]-2-methylpropyl]-diphenylphosphane
• PubChem CID: 11698892
• Molecular Formula: C₃₃H₃₆P₂
• Molecular Weight: 494.60 g/mol
• Exact Mass: 494.23
• IUPAC Name: [(1S)-1-[(1S,2S)-2-diphenylphosphanylcyclopentyl]-2-methylpropyl]-diphenylphosphane
• SMILES: CC(C)[C@@H]([C@H]1CCC[C@@H]1P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C33H36P2/c1-26(2)33(35(29-20-11-5-12-21-29)30-22-13-6-14-23-30)31-24-15-25-32(31)34(27-16-7-3-8-17-27)28-18-9-4-10-19-28/h3-14,16-23,26,31-33H,15,24-25H2,1-2H3/t31-,32-,33-/m0/s1
• InChIKey: NMWCBOZQVMXBMI-ZDCRTTOTSA-N
• XLogP: 7.45
• TPSA: 0.00 Ų
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.60
LogP ≤ 5	7.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[(1S,2S)-2-diphenylphosphanylcyclopentyl]-2-methylpropyl]-diphenylphosphane?

The IUPAC name of [(1S)-1-[(1S,2S)-2-diphenylphosphanylcyclopentyl]-2-methylpropyl]-diphenylphosphane (CID 11698892) is [(1S)-1-[(1S,2S)-2-diphenylphosphanylcyclopentyl]-2-methylpropyl]-diphenylphosphane.

What is the SMILES notation for [(1S)-1-[(1S,2S)-2-diphenylphosphanylcyclopentyl]-2-methylpropyl]-diphenylphosphane?

The canonical SMILES for [(1S)-1-[(1S,2S)-2-diphenylphosphanylcyclopentyl]-2-methylpropyl]-diphenylphosphane is CC(C)[C@@H]([C@H]1CCC[C@@H]1P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.

What is the InChIKey of [(1S)-1-[(1S,2S)-2-diphenylphosphanylcyclopentyl]-2-methylpropyl]-diphenylphosphane?

The InChIKey is NMWCBOZQVMXBMI-ZDCRTTOTSA-N. The full InChI is InChI=1S/C33H36P2/c1-26(2)33(35(29-20-11-5-12-21-29)30-22-13-6-14-23-30)31-24-15-25-32(31)34(27-16-7-3-8-17-27)28-18-9-4-10-19-28/h3-14,16-23,26,31-33H,15,24-25H2,1-2H3/t31-,32-,33-/m0/s1.

What are the key properties of [(1S)-1-[(1S,2S)-2-diphenylphosphanylcyclopentyl]-2-methylpropyl]-diphenylphosphane?

[(1S)-1-[(1S,2S)-2-diphenylphosphanylcyclopentyl]-2-methylpropyl]-diphenylphosphane has a molecular weight of 494.60 g/mol, XLogP of 7.45, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S)-1-[(1S,2S)-2-diphenylphosphanylcyclopentyl]-2-methylpropyl]-diphenylphosphane is sourced from PubChem (CID 11698892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 11698892 — identifiers, structure, computed properties (public domain)

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