2-[2-(2-carboxyethoxy)ethoxy]ethyl-triphenylphosphanium

C25H28O4P+ — CID 135362746

IUPAC2-[2-(2-carboxyethoxy)ethoxy]ethyl-triphenylphosphanium
SMILESO=C(O)CCOCCOCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H27O4P/c26-25(27)16-17-28-18-19-29-20-21-30(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15H,16-21H2/p+1
InChIKeyVSHJZUKULIQLPV-UHFFFAOYSA-O
MW423.47 g/mol
LogP3.49
Rot. Bonds12

About 2-[2-(2-carboxyethoxy)ethoxy]ethyl-triphenylphosphanium

2-[2-(2-carboxyethoxy)ethoxy]ethyl-triphenylphosphanium (PubChem CID 135362746) has the molecular formula C25H28O4P+ and a molecular weight of 423.47 g/mol. Its IUPAC name is 2-[2-(2-carboxyethoxy)ethoxy]ethyl-triphenylphosphanium.

Molecular Properties

Compound Name2-[2-(2-carboxyethoxy)ethoxy]ethyl-triphenylphosphanium
PubChem CID135362746
Molecular FormulaC25H28O4P+
Molecular Weight423.47 g/mol
Exact Mass423.17
IUPAC Name2-[2-(2-carboxyethoxy)ethoxy]ethyl-triphenylphosphanium
SMILESO=C(O)CCOCCOCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H27O4P/c26-25(27)16-17-28-18-19-29-20-21-30(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15H,16-21H2/p+1
InChIKeyVSHJZUKULIQLPV-UHFFFAOYSA-O
XLogP3.49
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-carboxyethoxymethyl(triphenyl)phosphanium
CID 20558069
2-carboxyethyl(triphenyl)phosphanium;hydrochloride
CID 87824769
2-(2-amino-4-carboxybutanoyl)oxyethyl-triphenylphosphanium
CID 138521982
triphenyl-[2-[2-(2-triphenylphosphaniumylethoxy)ethoxy]ethyl]phosphanium;triphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium
CID 162256436
2-carboxyethyl(triphenyl)phosphanium;molecular bromine;bromide
CID 102601236
3-[2-(2-phenylmethoxyethoxy)ethoxy]propanoic acid
CID 14462372
3-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]propanoic acid
CID 14462373
2-(2-aminoethoxy)ethyl-triphenylphosphanium iodide
CID 90424402
9-carboxynonyl(triphenyl)phosphanium iodide
CID 126698035
(2-carboxy-2-deuterioethyl)-triphenylphosphanium
CID 139243686
3-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]propanoic acid
CID 13225972
2-[2-[methyl(methylcarbamoyl)amino]ethoxy]ethyl-triphenylphosphanium
CID 118688441

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-carboxyethoxy)ethoxy]ethyl-triphenylphosphanium?
The IUPAC name of 2-[2-(2-carboxyethoxy)ethoxy]ethyl-triphenylphosphanium (CID 135362746) is 2-[2-(2-carboxyethoxy)ethoxy]ethyl-triphenylphosphanium.
What is the SMILES notation for 2-[2-(2-carboxyethoxy)ethoxy]ethyl-triphenylphosphanium?
The canonical SMILES for 2-[2-(2-carboxyethoxy)ethoxy]ethyl-triphenylphosphanium is O=C(O)CCOCCOCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[2-(2-carboxyethoxy)ethoxy]ethyl-triphenylphosphanium?
The InChIKey is VSHJZUKULIQLPV-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H27O4P/c26-25(27)16-17-28-18-19-29-20-21-30(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15H,16-21H2/p+1.
What are the key properties of 2-[2-(2-carboxyethoxy)ethoxy]ethyl-triphenylphosphanium?
2-[2-(2-carboxyethoxy)ethoxy]ethyl-triphenylphosphanium has a molecular weight of 423.47 g/mol, XLogP of 3.49, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-carboxyethoxy)ethoxy]ethyl-triphenylphosphanium is sourced from PubChem (CID 135362746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).