bis(phosphanyl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]phosphane

C9H18BN2O2P3 — CID 123424092

About bis(phosphanyl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]phosphane

bis(phosphanyl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]phosphane (PubChem CID 123424092) has the molecular formula C9H18BN2O2P3 and a molecular weight of 289.99 g/mol. Its IUPAC name is bis(phosphanyl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]phosphane.

Molecular Properties

• Compound Name: bis(phosphanyl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]phosphane
• PubChem CID: 123424092
• Molecular Formula: C9H18BN2O2P3
• Molecular Weight: 289.99 g/mol
• Exact Mass: 290.07
• IUPAC Name: bis(phosphanyl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]phosphane
• SMILES: CC1(C)OB(c2cnn(P(P)P)c2)OC1(C)C
• InChI: InChI=1S/C9H18BN2O2P3/c1-8(2)9(3,4)14-10(13-8)7-5-11-12(6-7)17(15)16/h5-6H,15-16H2,1-4H3
• InChIKey: MKDAWJGAFNQOPT-UHFFFAOYSA-N
• XLogP: 2.01
• TPSA: 36.28 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	289.99
LogP ≤ 5	2.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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 bis(phosphanyl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]phosphane?

The IUPAC name of bis(phosphanyl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]phosphane (CID 123424092) is bis(phosphanyl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]phosphane.

What is the SMILES notation for bis(phosphanyl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]phosphane?

The canonical SMILES for bis(phosphanyl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]phosphane is CC1(C)OB(c2cnn(P(P)P)c2)OC1(C)C.

What is the InChIKey of bis(phosphanyl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]phosphane?

The InChIKey is MKDAWJGAFNQOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BN2O2P3/c1-8(2)9(3,4)14-10(13-8)7-5-11-12(6-7)17(15)16/h5-6H,15-16H2,1-4H3.

What are the key properties of bis(phosphanyl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]phosphane?

bis(phosphanyl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]phosphane has a molecular weight of 289.99 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for bis(phosphanyl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]phosphane is sourced from PubChem (CID 123424092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).