phosphanyl-[(3Z,6Z,11E,13E,15Z)-9-phosphanyloxydocosa-3,6,11,13,15-pentaen-2-yl]oxyphosphane

C22H39O2P3 — CID 134464383

About phosphanyl-[(3Z,6Z,11E,13E,15Z)-9-phosphanyloxydocosa-3,6,11,13,15-pentaen-2-yl]oxyphosphane

phosphanyl-[(3Z,6Z,11E,13E,15Z)-9-phosphanyloxydocosa-3,6,11,13,15-pentaen-2-yl]oxyphosphane (PubChem CID 134464383) has the molecular formula C22H39O2P3 and a molecular weight of 428.47 g/mol. Its IUPAC name is phosphanyl-[(3Z,6Z,11E,13E,15Z)-9-phosphanyloxydocosa-3,6,11,13,15-pentaen-2-yl]oxyphosphane.

Molecular Properties

• Compound Name: phosphanyl-[(3Z,6Z,11E,13E,15Z)-9-phosphanyloxydocosa-3,6,11,13,15-pentaen-2-yl]oxyphosphane
• PubChem CID: 134464383
• Molecular Formula: C22H39O2P3
• Molecular Weight: 428.47 g/mol
• Exact Mass: 428.22
• IUPAC Name: phosphanyl-[(3Z,6Z,11E,13E,15Z)-9-phosphanyloxydocosa-3,6,11,13,15-pentaen-2-yl]oxyphosphane
• SMILES: CCCCCC/C=C\C=C\C=C\CC(C/C=C\C/C=C\C(C)OPP)OP
• InChI: InChI=1S/C22H39O2P3/c1-3-4-5-6-7-8-9-10-11-12-16-19-22(23-25)20-17-14-13-15-18-21(2)24-27-26/h8-12,14-18,21-22,27H,3-7,13,19-20,25-26H2,1-2H3/b9-8-,11-10+,16-12+,17-14-,18-15-
• InChIKey: AZYJQQNEWREGPH-UAKIHIQFSA-N
• XLogP: 7.87
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 17
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	428.47
LogP ≤ 5	7.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of phosphanyl-[(3Z,6Z,11E,13E,15Z)-9-phosphanyloxydocosa-3,6,11,13,15-pentaen-2-yl]oxyphosphane?

The IUPAC name of phosphanyl-[(3Z,6Z,11E,13E,15Z)-9-phosphanyloxydocosa-3,6,11,13,15-pentaen-2-yl]oxyphosphane (CID 134464383) is phosphanyl-[(3Z,6Z,11E,13E,15Z)-9-phosphanyloxydocosa-3,6,11,13,15-pentaen-2-yl]oxyphosphane.

What is the SMILES notation for phosphanyl-[(3Z,6Z,11E,13E,15Z)-9-phosphanyloxydocosa-3,6,11,13,15-pentaen-2-yl]oxyphosphane?

The canonical SMILES for phosphanyl-[(3Z,6Z,11E,13E,15Z)-9-phosphanyloxydocosa-3,6,11,13,15-pentaen-2-yl]oxyphosphane is CCCCCC/C=C\C=C\C=C\CC(C/C=C\C/C=C\C(C)OPP)OP.

What is the InChIKey of phosphanyl-[(3Z,6Z,11E,13E,15Z)-9-phosphanyloxydocosa-3,6,11,13,15-pentaen-2-yl]oxyphosphane?

The InChIKey is AZYJQQNEWREGPH-UAKIHIQFSA-N. The full InChI is InChI=1S/C22H39O2P3/c1-3-4-5-6-7-8-9-10-11-12-16-19-22(23-25)20-17-14-13-15-18-21(2)24-27-26/h8-12,14-18,21-22,27H,3-7,13,19-20,25-26H2,1-2H3/b9-8-,11-10+,16-12+,17-14-,18-15-.

What are the key properties of phosphanyl-[(3Z,6Z,11E,13E,15Z)-9-phosphanyloxydocosa-3,6,11,13,15-pentaen-2-yl]oxyphosphane?

phosphanyl-[(3Z,6Z,11E,13E,15Z)-9-phosphanyloxydocosa-3,6,11,13,15-pentaen-2-yl]oxyphosphane has a molecular weight of 428.47 g/mol, XLogP of 7.87, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for phosphanyl-[(3Z,6Z,11E,13E,15Z)-9-phosphanyloxydocosa-3,6,11,13,15-pentaen-2-yl]oxyphosphane is sourced from PubChem (CID 134464383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).