ethyl-[2-(2-methoxyethoxy)ethyl]-dimethylphosphanium;2-methoxyacetate

C12H27O5P — CID 118645024

IUPACethyl-[2-(2-methoxyethoxy)ethyl]-dimethylphosphanium;2-methoxyacetate
SMILESCC[P+](C)(C)CCOCCOC.COCC(=O)[O-]
InChIInChI=1S/C9H22O2P.C3H6O3/c1-5-12(3,4)9-8-11-7-6-10-2;1-6-2-3(4)5/h5-9H2,1-4H3;2H2,1H3,(H,4,5)/q+1;/p-1
InChIKeyMSQDKRVNFWMIGR-UHFFFAOYSA-M
MW282.32 g/mol
LogP0.33
Rot. Bonds9

About ethyl-[2-(2-methoxyethoxy)ethyl]-dimethylphosphanium;2-methoxyacetate

ethyl-[2-(2-methoxyethoxy)ethyl]-dimethylphosphanium;2-methoxyacetate (PubChem CID 118645024) has the molecular formula C12H27O5P and a molecular weight of 282.32 g/mol. Its IUPAC name is ethyl-[2-(2-methoxyethoxy)ethyl]-dimethylphosphanium;2-methoxyacetate.

Molecular Properties

Compound Nameethyl-[2-(2-methoxyethoxy)ethyl]-dimethylphosphanium;2-methoxyacetate
PubChem CID118645024
Molecular FormulaC12H27O5P
Molecular Weight282.32 g/mol
Exact Mass282.16
IUPAC Nameethyl-[2-(2-methoxyethoxy)ethyl]-dimethylphosphanium;2-methoxyacetate
SMILESCC[P+](C)(C)CCOCCOC.COCC(=O)[O-]
InChIInChI=1S/C9H22O2P.C3H6O3/c1-5-12(3,4)9-8-11-7-6-10-2;1-6-2-3(4)5/h5-9H2,1-4H3;2H2,1H3,(H,4,5)/q+1;/p-1
InChIKeyMSQDKRVNFWMIGR-UHFFFAOYSA-M
XLogP0.33
TPSA67.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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
bis(2-methoxyethyl)-dimethylphosphanium;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate
CID 118645311
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane carbonate
CID 23366578
barium(2+);bis(2-methoxyacetate)
CID 88657250
2-[2-(2-methoxyethoxy)ethoxy]propanoate
CID 18318699
sodium;2-methoxyacetate;1-[2-(5-methoxy-4-oxopentoxy)ethoxy]nonadecan-4-one
CID 161367903
2-(2-methoxyethoxy)ethyl-trimethylphosphanium
CID 88850775
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylpentane
CID 126547555
(2S)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropanoate
CID 140579321
2-[2-(2-methoxyethoxy)ethoxy]hexanoate
CID 18318667
1-(2-methoxyethoxy)decan-4-yl hydrogen carbonate
CID 87841165
ethanol;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87301416

Frequently Asked Questions

What is the IUPAC name of ethyl-[2-(2-methoxyethoxy)ethyl]-dimethylphosphanium;2-methoxyacetate?
The IUPAC name of ethyl-[2-(2-methoxyethoxy)ethyl]-dimethylphosphanium;2-methoxyacetate (CID 118645024) is ethyl-[2-(2-methoxyethoxy)ethyl]-dimethylphosphanium;2-methoxyacetate.
What is the SMILES notation for ethyl-[2-(2-methoxyethoxy)ethyl]-dimethylphosphanium;2-methoxyacetate?
The canonical SMILES for ethyl-[2-(2-methoxyethoxy)ethyl]-dimethylphosphanium;2-methoxyacetate is CC[P+](C)(C)CCOCCOC.COCC(=O)[O-].
What is the InChIKey of ethyl-[2-(2-methoxyethoxy)ethyl]-dimethylphosphanium;2-methoxyacetate?
The InChIKey is MSQDKRVNFWMIGR-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H22O2P.C3H6O3/c1-5-12(3,4)9-8-11-7-6-10-2;1-6-2-3(4)5/h5-9H2,1-4H3;2H2,1H3,(H,4,5)/q+1;/p-1.
What are the key properties of ethyl-[2-(2-methoxyethoxy)ethyl]-dimethylphosphanium;2-methoxyacetate?
ethyl-[2-(2-methoxyethoxy)ethyl]-dimethylphosphanium;2-methoxyacetate has a molecular weight of 282.32 g/mol, XLogP of 0.33, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[2-(2-methoxyethoxy)ethyl]-dimethylphosphanium;2-methoxyacetate is sourced from PubChem (CID 118645024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).