2-[[(2R)-3-[(Z)-hexadec-1-enoxy]-2-(2-trimethylsilylethoxymethoxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

C30H65NO7PSi+ — CID 10963111

About 2-[[(2R)-3-[(Z)-hexadec-1-enoxy]-2-(2-trimethylsilylethoxymethoxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

2-[[(2R)-3-[(Z)-hexadec-1-enoxy]-2-(2-trimethylsilylethoxymethoxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium (PubChem CID 10963111) has the molecular formula C30H65NO7PSi+ and a molecular weight of 610.91 g/mol. Its IUPAC name is 2-[[(2R)-3-[(Z)-hexadec-1-enoxy]-2-(2-trimethylsilylethoxymethoxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium.

Molecular Properties

• Compound Name: 2-[[(2R)-3-[(Z)-hexadec-1-enoxy]-2-(2-trimethylsilylethoxymethoxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
• PubChem CID: 10963111
• Molecular Formula: C30H65NO7PSi+
• Molecular Weight: 610.91 g/mol
• Exact Mass: 610.43
• IUPAC Name: 2-[[(2R)-3-[(Z)-hexadec-1-enoxy]-2-(2-trimethylsilylethoxymethoxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
• SMILES: CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OCOCC[Si](C)(C)C
• InChI: InChI=1S/C30H64NO7PSi/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-34-27-30(36-29-35-25-26-40(5,6)7)28-38-39(32,33)37-24-22-31(2,3)4/h21,23,30H,8-20,22,24-29H2,1-7H3/p+1/b23-21-/t30-/m1/s1
• InChIKey: MKKNWPURZVBMFS-HOQCJHPKSA-O
• XLogP: 8.15
• TPSA: 83.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 29
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.91
LogP ≤ 5	8.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-3-[(Z)-hexadec-1-enoxy]-2-(2-trimethylsilylethoxymethoxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium?

The IUPAC name of 2-[[(2R)-3-[(Z)-hexadec-1-enoxy]-2-(2-trimethylsilylethoxymethoxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium (CID 10963111) is 2-[[(2R)-3-[(Z)-hexadec-1-enoxy]-2-(2-trimethylsilylethoxymethoxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium.

What is the SMILES notation for 2-[[(2R)-3-[(Z)-hexadec-1-enoxy]-2-(2-trimethylsilylethoxymethoxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium?

The canonical SMILES for 2-[[(2R)-3-[(Z)-hexadec-1-enoxy]-2-(2-trimethylsilylethoxymethoxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium is CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OCOCC[Si](C)(C)C.

What is the InChIKey of 2-[[(2R)-3-[(Z)-hexadec-1-enoxy]-2-(2-trimethylsilylethoxymethoxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium?

The InChIKey is MKKNWPURZVBMFS-HOQCJHPKSA-O. The full InChI is InChI=1S/C30H64NO7PSi/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-34-27-30(36-29-35-25-26-40(5,6)7)28-38-39(32,33)37-24-22-31(2,3)4/h21,23,30H,8-20,22,24-29H2,1-7H3/p+1/b23-21-/t30-/m1/s1.

What are the key properties of 2-[[(2R)-3-[(Z)-hexadec-1-enoxy]-2-(2-trimethylsilylethoxymethoxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium?

2-[[(2R)-3-[(Z)-hexadec-1-enoxy]-2-(2-trimethylsilylethoxymethoxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium has a molecular weight of 610.91 g/mol, XLogP of 8.15, 29 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(2R)-3-[(Z)-hexadec-1-enoxy]-2-(2-trimethylsilylethoxymethoxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium is sourced from PubChem (CID 10963111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).