bis(2-methoxyethyl)-dimethylphosphanium;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate

C18H39O8P — CID 118645311

IUPACbis(2-methoxyethyl)-dimethylphosphanium;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate
SMILESCOCCOCCOCCOCCC(=O)[O-].COCC[P+](C)(C)CCOC
InChIInChI=1S/C10H20O6.C8H20O2P/c1-13-4-5-15-8-9-16-7-6-14-3-2-10(11)12;1-9-5-7-11(3,4)8-6-10-2/h2-9H2,1H3,(H,11,12);5-8H2,1-4H3/q;+1/p-1
InChIKeyBUYCNDMVXLKTLC-UHFFFAOYSA-M
MW414.48 g/mol
LogP0.38
Rot. Bonds18

About bis(2-methoxyethyl)-dimethylphosphanium;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate

bis(2-methoxyethyl)-dimethylphosphanium;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate (PubChem CID 118645311) has the molecular formula C18H39O8P and a molecular weight of 414.48 g/mol. Its IUPAC name is bis(2-methoxyethyl)-dimethylphosphanium;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate.

Molecular Properties

Compound Namebis(2-methoxyethyl)-dimethylphosphanium;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate
PubChem CID118645311
Molecular FormulaC18H39O8P
Molecular Weight414.48 g/mol
Exact Mass414.24
IUPAC Namebis(2-methoxyethyl)-dimethylphosphanium;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate
SMILESCOCCOCCOCCOCCC(=O)[O-].COCC[P+](C)(C)CCOC
InChIInChI=1S/C10H20O6.C8H20O2P/c1-13-4-5-15-8-9-16-7-6-14-3-2-10(11)12;1-9-5-7-11(3,4)8-6-10-2/h2-9H2,1H3,(H,11,12);5-8H2,1-4H3/q;+1/p-1
InChIKeyBUYCNDMVXLKTLC-UHFFFAOYSA-M
XLogP0.38
TPSA95.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

ethyl-[2-(2-methoxyethoxy)ethyl]-dimethylphosphanium;3-methylsulfanylpropanoate
CID 118645462
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate;2-methoxyethyl(trimethyl)azanium
CID 118645294
ethyl-[2-(2-methoxyethoxy)ethyl]-dimethylphosphanium;2-methoxyacetate
CID 118645024
3-(2-methoxyethoxy)propanoate;tetrapropylazanium
CID 118645219
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane carbonate
CID 23366578
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylpentan-3-one
CID 176767842
bis(2-ethoxyethyl)-dimethylazanium;3-[2-(2-methoxyethoxy)ethoxy]propanoate
CID 118645288
2-ethoxyethyl-[2-(2-methoxyethoxy)ethyl]-dimethylazanium;3-[2-(2-methoxyethoxy)ethoxy]propanoate
CID 118645100
2-methoxyethyl(trimethyl)phosphanium;3-methylsulfanylpropanoate
CID 118645178
diethyl-(2-methoxyethyl)-methylazanium;3-(2-ethoxyethoxy)propanoate
CID 118645363
bis(3-(2-methoxyethoxy)propanoate);bis(1-(2-methoxyethyl)-1-methylpiperidin-1-ium)
CID 161399909
2-[2-(2-methoxyethoxy)ethoxy]propanoate
CID 18318699

Frequently Asked Questions

What is the IUPAC name of bis(2-methoxyethyl)-dimethylphosphanium;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate?
The IUPAC name of bis(2-methoxyethyl)-dimethylphosphanium;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate (CID 118645311) is bis(2-methoxyethyl)-dimethylphosphanium;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate.
What is the SMILES notation for bis(2-methoxyethyl)-dimethylphosphanium;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate?
The canonical SMILES for bis(2-methoxyethyl)-dimethylphosphanium;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate is COCCOCCOCCOCCC(=O)[O-].COCC[P+](C)(C)CCOC.
What is the InChIKey of bis(2-methoxyethyl)-dimethylphosphanium;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate?
The InChIKey is BUYCNDMVXLKTLC-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H20O6.C8H20O2P/c1-13-4-5-15-8-9-16-7-6-14-3-2-10(11)12;1-9-5-7-11(3,4)8-6-10-2/h2-9H2,1H3,(H,11,12);5-8H2,1-4H3/q;+1/p-1.
What are the key properties of bis(2-methoxyethyl)-dimethylphosphanium;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate?
bis(2-methoxyethyl)-dimethylphosphanium;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate has a molecular weight of 414.48 g/mol, XLogP of 0.38, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methoxyethyl)-dimethylphosphanium;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate is sourced from PubChem (CID 118645311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).