2-(2-methoxyethoxy)ethyl-trimethylphosphanium

C8H20O2P+ — CID 88850775

IUPAC2-(2-methoxyethoxy)ethyl-trimethylphosphanium
SMILESCOCCOCC[P+](C)(C)C
InChIInChI=1S/C8H20O2P/c1-9-5-6-10-7-8-11(2,3)4/h5-8H2,1-4H3/q+1
InChIKeyIFIBHFRMFHXUOS-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.56
Rot. Bonds6

About 2-(2-methoxyethoxy)ethyl-trimethylphosphanium

2-(2-methoxyethoxy)ethyl-trimethylphosphanium (PubChem CID 88850775) has the molecular formula C8H20O2P+ and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)ethyl-trimethylphosphanium.

Molecular Properties

Compound Name2-(2-methoxyethoxy)ethyl-trimethylphosphanium
PubChem CID88850775
Molecular FormulaC8H20O2P+
Molecular Weight179.22 g/mol
Exact Mass179.12
IUPAC Name2-(2-methoxyethoxy)ethyl-trimethylphosphanium
SMILESCOCCOCC[P+](C)(C)C
InChIInChI=1S/C8H20O2P/c1-9-5-6-10-7-8-11(2,3)4/h5-8H2,1-4H3/q+1
InChIKeyIFIBHFRMFHXUOS-UHFFFAOYSA-N
XLogP1.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)ethyl-trimethylphosphanium?
The IUPAC name of 2-(2-methoxyethoxy)ethyl-trimethylphosphanium (CID 88850775) is 2-(2-methoxyethoxy)ethyl-trimethylphosphanium.
What is the SMILES notation for 2-(2-methoxyethoxy)ethyl-trimethylphosphanium?
The canonical SMILES for 2-(2-methoxyethoxy)ethyl-trimethylphosphanium is COCCOCC[P+](C)(C)C.
What is the InChIKey of 2-(2-methoxyethoxy)ethyl-trimethylphosphanium?
The InChIKey is IFIBHFRMFHXUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20O2P/c1-9-5-6-10-7-8-11(2,3)4/h5-8H2,1-4H3/q+1.
What are the key properties of 2-(2-methoxyethoxy)ethyl-trimethylphosphanium?
2-(2-methoxyethoxy)ethyl-trimethylphosphanium has a molecular weight of 179.22 g/mol, XLogP of 1.56, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)ethyl-trimethylphosphanium is sourced from PubChem (CID 88850775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).