9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-en-3-one

C15H49O4P25 — CID 22967286

About 9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-en-3-one

9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-en-3-one (PubChem CID 22967286) has the molecular formula C15H49O4P25 and a molecular weight of 1067.90 g/mol. Its IUPAC name is 9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-en-3-one.

Molecular Properties

• Compound Name: 9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-en-3-one
• PubChem CID: 22967286
• Molecular Formula: C15H49O4P25
• Molecular Weight: 1067.90 g/mol
• Exact Mass: 1067.71
• IUPAC Name: 9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-en-3-one
• SMILES: CC1=C2C(OP(P(P)P)P(PP)P(P)P)CC(C)C(=O)C(OPP)C(CC1OP(P(P)P(P)P)P(P(P)P)P(P)P)C2(C)C
• InChI: InChI=1S/C15H49O4P25/c1-7-5-11(19-35(37(22)23)43(34-21)39(26)27)12-8(2)10(6-9(15(12,3)4)14(13(7)16)17-33-20)18-36(42(32)38(24)25)44(40(28)29)41(30)31/h7,9-11,14,33-34H,5-6,20-32H2,1-4H3
• InChIKey: DBJCPBSNGCXWDK-UHFFFAOYSA-N
• XLogP: 16.54
• TPSA: 44.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 15
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1067.90
LogP ≤ 5	16.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-en-3-one?

The IUPAC name of 9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-en-3-one (CID 22967286) is 9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-en-3-one.

What is the SMILES notation for 9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-en-3-one?

The canonical SMILES for 9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-en-3-one is CC1=C2C(OP(P(P)P)P(PP)P(P)P)CC(C)C(=O)C(OPP)C(CC1OP(P(P)P(P)P)P(P(P)P)P(P)P)C2(C)C.

What is the InChIKey of 9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-en-3-one?

The InChIKey is DBJCPBSNGCXWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H49O4P25/c1-7-5-11(19-35(37(22)23)43(34-21)39(26)27)12-8(2)10(6-9(15(12,3)4)14(13(7)16)17-33-20)18-36(42(32)38(24)25)44(40(28)29)41(30)31/h7,9-11,14,33-34H,5-6,20-32H2,1-4H3.

What are the key properties of 9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-en-3-one?

9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-en-3-one has a molecular weight of 1067.90 g/mol, XLogP of 16.54, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-en-3-one is sourced from PubChem (CID 22967286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).