[ethoxy-[(3E,7E,11E)-4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]phosphoryl]methyl-dioxido-oxo-λ5-phosphane

C24H42O5P2-2 — CID 21197638

About [ethoxy-[(3E,7E,11E)-4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]phosphoryl]methyl-dioxido-oxo-λ5-phosphane

[ethoxy-[(3E,7E,11E)-4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]phosphoryl]methyl-dioxido-oxo-λ5-phosphane (PubChem CID 21197638) has the molecular formula C24H42O5P2-2 and a molecular weight of 472.54 g/mol. Its IUPAC name is [ethoxy-[(3E,7E,11E)-4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]phosphoryl]methyl-dioxido-oxo-λ5-phosphane.

Molecular Properties

• Compound Name: [ethoxy-[(3E,7E,11E)-4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]phosphoryl]methyl-dioxido-oxo-λ5-phosphane
• PubChem CID: 21197638
• Molecular Formula: C24H42O5P2-2
• Molecular Weight: 472.54 g/mol
• Exact Mass: 472.25
• IUPAC Name: [ethoxy-[(3E,7E,11E)-4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]phosphoryl]methyl-dioxido-oxo-λ5-phosphane
• SMILES: CCOP(=O)(CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)CP(=O)([O-])[O-]
• InChI: InChI=1S/C24H44O5P2/c1-7-29-30(25,20-31(26,27)28)19-11-18-24(6)17-10-16-23(5)15-9-14-22(4)13-8-12-21(2)3/h12,14,16,18H,7-11,13,15,17,19-20H2,1-6H3,(H2,26,27,28)/p-2/b22-14+,23-16+,24-18+
• InChIKey: WGUVLCGBCJHFMO-FNUUCIPGSA-L
• XLogP: 6.71
• TPSA: 89.49 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 16
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.54
LogP ≤ 5	6.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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 [ethoxy-[(3E,7E,11E)-4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]phosphoryl]methyl-dioxido-oxo-λ5-phosphane?

The IUPAC name of [ethoxy-[(3E,7E,11E)-4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]phosphoryl]methyl-dioxido-oxo-λ5-phosphane (CID 21197638) is [ethoxy-[(3E,7E,11E)-4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]phosphoryl]methyl-dioxido-oxo-λ5-phosphane.

What is the SMILES notation for [ethoxy-[(3E,7E,11E)-4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]phosphoryl]methyl-dioxido-oxo-λ5-phosphane?

The canonical SMILES for [ethoxy-[(3E,7E,11E)-4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]phosphoryl]methyl-dioxido-oxo-λ5-phosphane is CCOP(=O)(CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)CP(=O)([O-])[O-].

What is the InChIKey of [ethoxy-[(3E,7E,11E)-4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]phosphoryl]methyl-dioxido-oxo-λ5-phosphane?

The InChIKey is WGUVLCGBCJHFMO-FNUUCIPGSA-L. The full InChI is InChI=1S/C24H44O5P2/c1-7-29-30(25,20-31(26,27)28)19-11-18-24(6)17-10-16-23(5)15-9-14-22(4)13-8-12-21(2)3/h12,14,16,18H,7-11,13,15,17,19-20H2,1-6H3,(H2,26,27,28)/p-2/b22-14+,23-16+,24-18+.

What are the key properties of [ethoxy-[(3E,7E,11E)-4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]phosphoryl]methyl-dioxido-oxo-λ5-phosphane?

[ethoxy-[(3E,7E,11E)-4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]phosphoryl]methyl-dioxido-oxo-λ5-phosphane has a molecular weight of 472.54 g/mol, XLogP of 6.71, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [ethoxy-[(3E,7E,11E)-4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]phosphoryl]methyl-dioxido-oxo-λ5-phosphane is sourced from PubChem (CID 21197638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).