3-[2-[2-[2-[2-[2-[2-[2-(2-diethoxyphosphorylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-yne

C23H45O11P — CID 130320253

About 3-[2-[2-[2-[2-[2-[2-[2-(2-diethoxyphosphorylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-yne

3-[2-[2-[2-[2-[2-[2-[2-(2-diethoxyphosphorylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-yne (PubChem CID 130320253) has the molecular formula C23H45O11P and a molecular weight of 528.58 g/mol. Its IUPAC name is 3-[2-[2-[2-[2-[2-[2-[2-(2-diethoxyphosphorylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-yne.

Molecular Properties

• Compound Name: 3-[2-[2-[2-[2-[2-[2-[2-(2-diethoxyphosphorylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-yne
• PubChem CID: 130320253
• Molecular Formula: C23H45O11P
• Molecular Weight: 528.58 g/mol
• Exact Mass: 528.27
• IUPAC Name: 3-[2-[2-[2-[2-[2-[2-[2-(2-diethoxyphosphorylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-yne
• SMILES: C#CCOCCOCCOCCOCCOCCOCCOCCOCCP(=O)(OCC)OCC
• InChI: InChI=1S/C23H45O11P/c1-4-7-25-8-9-26-10-11-27-12-13-28-14-15-29-16-17-30-18-19-31-20-21-32-22-23-35(24,33-5-2)34-6-3/h1H,5-23H2,2-3H3
• InChIKey: UKSGAJLRCOHMKI-UHFFFAOYSA-N
• XLogP: 2.02
• TPSA: 109.37 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 29
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.58
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-[2-[2-[2-[2-(2-diethoxyphosphorylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-yne?

The IUPAC name of 3-[2-[2-[2-[2-[2-[2-[2-(2-diethoxyphosphorylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-yne (CID 130320253) is 3-[2-[2-[2-[2-[2-[2-[2-(2-diethoxyphosphorylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-yne.

What is the SMILES notation for 3-[2-[2-[2-[2-[2-[2-[2-(2-diethoxyphosphorylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-yne?

The canonical SMILES for 3-[2-[2-[2-[2-[2-[2-[2-(2-diethoxyphosphorylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-yne is C#CCOCCOCCOCCOCCOCCOCCOCCOCCP(=O)(OCC)OCC.

What is the InChIKey of 3-[2-[2-[2-[2-[2-[2-[2-(2-diethoxyphosphorylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-yne?

The InChIKey is UKSGAJLRCOHMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45O11P/c1-4-7-25-8-9-26-10-11-27-12-13-28-14-15-29-16-17-30-18-19-31-20-21-32-22-23-35(24,33-5-2)34-6-3/h1H,5-23H2,2-3H3.

What are the key properties of 3-[2-[2-[2-[2-[2-[2-[2-(2-diethoxyphosphorylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-yne?

3-[2-[2-[2-[2-[2-[2-[2-(2-diethoxyphosphorylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-yne has a molecular weight of 528.58 g/mol, XLogP of 2.02, 29 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[2-[2-[2-[2-[2-[2-(2-diethoxyphosphorylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-yne is sourced from PubChem (CID 130320253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).