2-ethoxyethyl diethyl phosphate

C₈H₁₉O₅P — CID 3052884

About 2-ethoxyethyl diethyl phosphate

2-ethoxyethyl diethyl phosphate (PubChem CID 3052884) has the molecular formula C₈H₁₉O₅P and a molecular weight of 226.21 g/mol. Its IUPAC name is 2-ethoxyethyl diethyl phosphate.

Molecular Properties

• Compound Name: 2-ethoxyethyl diethyl phosphate
• PubChem CID: 3052884
• Molecular Formula: C₈H₁₉O₅P
• Molecular Weight: 226.21 g/mol
• Exact Mass: 226.10
• IUPAC Name: 2-ethoxyethyl diethyl phosphate
• SMILES: CCOCCOP(=O)(OCC)OCC
• InChI: InChI=1S/C8H19O5P/c1-4-10-7-8-13-14(9,11-5-2)12-6-3/h4-8H2,1-3H3
• InChIKey: WHYDQOAVSFYOCB-UHFFFAOYSA-N
• XLogP: 2.22
• TPSA: 53.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	226.21
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl diethyl phosphate?

The IUPAC name of 2-ethoxyethyl diethyl phosphate (CID 3052884) is 2-ethoxyethyl diethyl phosphate.

What is the SMILES notation for 2-ethoxyethyl diethyl phosphate?

The canonical SMILES for 2-ethoxyethyl diethyl phosphate is CCOCCOP(=O)(OCC)OCC.

What is the InChIKey of 2-ethoxyethyl diethyl phosphate?

The InChIKey is WHYDQOAVSFYOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O5P/c1-4-10-7-8-13-14(9,11-5-2)12-6-3/h4-8H2,1-3H3.

What are the key properties of 2-ethoxyethyl diethyl phosphate?

2-ethoxyethyl diethyl phosphate has a molecular weight of 226.21 g/mol, XLogP of 2.22, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethoxyethyl diethyl phosphate is sourced from PubChem (CID 3052884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 3052884 — identifiers, structure, computed properties (public domain)

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