ethyl-[2-(2-methoxyethoxy)ethyl]-dimethylphosphanium;3-methylsulfanylpropanoate

C13H29O4PS — CID 118645462

IUPACethyl-[2-(2-methoxyethoxy)ethyl]-dimethylphosphanium;3-methylsulfanylpropanoate
SMILESCC[P+](C)(C)CCOCCOC.CSCCC(=O)[O-]
InChIInChI=1S/C9H22O2P.C4H8O2S/c1-5-12(3,4)9-8-11-7-6-10-2;1-7-3-2-4(5)6/h5-9H2,1-4H3;2-3H2,1H3,(H,5,6)/q+1;/p-1
InChIKeySSWXHFWZQACLIF-UHFFFAOYSA-M
MW312.41 g/mol
LogP1.44
Rot. Bonds10

About ethyl-[2-(2-methoxyethoxy)ethyl]-dimethylphosphanium;3-methylsulfanylpropanoate

ethyl-[2-(2-methoxyethoxy)ethyl]-dimethylphosphanium;3-methylsulfanylpropanoate (PubChem CID 118645462) has the molecular formula C13H29O4PS and a molecular weight of 312.41 g/mol. Its IUPAC name is ethyl-[2-(2-methoxyethoxy)ethyl]-dimethylphosphanium;3-methylsulfanylpropanoate.

Molecular Properties

Compound Nameethyl-[2-(2-methoxyethoxy)ethyl]-dimethylphosphanium;3-methylsulfanylpropanoate
PubChem CID118645462
Molecular FormulaC13H29O4PS
Molecular Weight312.41 g/mol
Exact Mass312.15
IUPAC Nameethyl-[2-(2-methoxyethoxy)ethyl]-dimethylphosphanium;3-methylsulfanylpropanoate
SMILESCC[P+](C)(C)CCOCCOC.CSCCC(=O)[O-]
InChIInChI=1S/C9H22O2P.C4H8O2S/c1-5-12(3,4)9-8-11-7-6-10-2;1-7-3-2-4(5)6/h5-9H2,1-4H3;2-3H2,1H3,(H,5,6)/q+1;/p-1
InChIKeySSWXHFWZQACLIF-UHFFFAOYSA-M
XLogP1.44
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 51.44
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;2-methoxyacetate
CID 118645024
2-methoxyethyl(trimethyl)phosphanium;3-methylsulfanylpropanoate
CID 118645178
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
2-[2-(2-methoxyethoxy)ethoxy]ethyl (2S)-2-amino-4-methylsulfanylbutanoate
CID 87305409
2-[2-(2-methoxyethoxy)ethoxy]propanoate
CID 18318699
3-(2-methoxyethoxy)propanoate;tetrapropylazanium
CID 118645219
2-[2-[2-(3-methylsulfanylpropanoyloxy)ethoxy]ethoxy]ethyl 3-methylsulfanylpropanoate
CID 172537073
2-(2-methoxyethoxy)ethyl-trimethylphosphanium
CID 88850775
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylpentane
CID 126547555
diethyl-(2-methoxyethyl)-methylazanium;3-(2-ethoxyethoxy)propanoate
CID 118645363
(2S)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropanoate
CID 140579321

Frequently Asked Questions

What is the IUPAC name of ethyl-[2-(2-methoxyethoxy)ethyl]-dimethylphosphanium;3-methylsulfanylpropanoate?
The IUPAC name of ethyl-[2-(2-methoxyethoxy)ethyl]-dimethylphosphanium;3-methylsulfanylpropanoate (CID 118645462) is ethyl-[2-(2-methoxyethoxy)ethyl]-dimethylphosphanium;3-methylsulfanylpropanoate.
What is the SMILES notation for ethyl-[2-(2-methoxyethoxy)ethyl]-dimethylphosphanium;3-methylsulfanylpropanoate?
The canonical SMILES for ethyl-[2-(2-methoxyethoxy)ethyl]-dimethylphosphanium;3-methylsulfanylpropanoate is CC[P+](C)(C)CCOCCOC.CSCCC(=O)[O-].
What is the InChIKey of ethyl-[2-(2-methoxyethoxy)ethyl]-dimethylphosphanium;3-methylsulfanylpropanoate?
The InChIKey is SSWXHFWZQACLIF-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H22O2P.C4H8O2S/c1-5-12(3,4)9-8-11-7-6-10-2;1-7-3-2-4(5)6/h5-9H2,1-4H3;2-3H2,1H3,(H,5,6)/q+1;/p-1.
What are the key properties of ethyl-[2-(2-methoxyethoxy)ethyl]-dimethylphosphanium;3-methylsulfanylpropanoate?
ethyl-[2-(2-methoxyethoxy)ethyl]-dimethylphosphanium;3-methylsulfanylpropanoate has a molecular weight of 312.41 g/mol, XLogP of 1.44, 10 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;3-methylsulfanylpropanoate is sourced from PubChem (CID 118645462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).